Wikidata

(Q27096770)

English

2-(6-CHLORO-3-{[2,2-DIFLUORO-2-(2-PYRIDINYL)ETHYL]AMINO}-2-OXO-1(2H)-PYRAZINYL)-N-[(2-FLUORO-3-METHYL-6-PYRIDINYL)METHYL]ACETAMIDE

chemical compound

In more languages

Statements

mass
448.183±0 dalton
1 reference
stated in
PubChem
PubChem CID
6323250
language of work or name
English
title
2-(6-CHLORO-3-{[2,2-DIFLUORO-2-(2-PYRIDINYL)ETHYL]AMINO}-2-OXO-1(2H)-PYRAZINYL)-N-[(2-FLUORO-3-METHYL-6-PYRIDINYL)METHYL]ACETAMIDE (English)
retrieved
19 October 2016
chemical formula
C₂₁H₂₃F₃N₆O₂²⁺
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC1=C(C(=NC=C1)CNC(=O)CN2C(=CNC(=[NH+]CC(C3=CC=CC=[NH+]3)(F)F)C2=O)C)F
1 reference
stated in
PubChem
PubChem CID
6323250
language of work or name
English
title
2-(6-CHLORO-3-{[2,2-DIFLUORO-2-(2-PYRIDINYL)ETHYL]AMINO}-2-OXO-1(2H)-PYRAZINYL)-N-[(2-FLUORO-3-METHYL-6-PYRIDINYL)METHYL]ACETAMIDE (English)
retrieved
19 October 2016
isomeric SMILES
CC1=CC=NC(=C1F)CNC(=O)CN2C(=CN/C(=[NH+]\CC(C3=CC=CC=[NH+]3)(F)F)/C2=O)C
1 reference
stated in
ChemSpider
ChemSpider ID
4883336
language of work or name
English
title
2-(1,1-Difluoro-2-{(Z)-[4-(2-{[(3-fluoro-4-methyl-2-pyridinyl)methyl]amino}-2-oxoethyl)-5-methyl-3-oxo-3,4-dihydro-2(1H)-pyrazinylidene]ammonio}ethyl)pyridinium (English)
retrieved
19 October 2016

Identifiers

InChI
InChI=1S/C21H21F3N6O2/c1-13-6-8-25-15(18(13)22)10-27-17(31)11-30-14(2)9-28-19(20(30)32)29-12-21(23,24)16-5-3-4-7-26-16/h3-9H,10-12H2,1-2H3,(H,27,31)(H,28,29)/p+2
1 reference
stated in
PubChem
PubChem CID
6323250
language of work or name
English
title
2-(6-CHLORO-3-{[2,2-DIFLUORO-2-(2-PYRIDINYL)ETHYL]AMINO}-2-OXO-1(2H)-PYRAZINYL)-N-[(2-FLUORO-3-METHYL-6-PYRIDINYL)METHYL]ACETAMIDE (English)
retrieved
19 October 2016
InChIKey
WOYBPRBUPLYTPY-UHFFFAOYSA-P
1 reference
stated in
PubChem
PubChem CID
6323250
language of work or name
English
title
2-(6-CHLORO-3-{[2,2-DIFLUORO-2-(2-PYRIDINYL)ETHYL]AMINO}-2-OXO-1(2H)-PYRAZINYL)-N-[(2-FLUORO-3-METHYL-6-PYRIDINYL)METHYL]ACETAMIDE (English)
retrieved
19 October 2016
ChemSpider ID
4883336
1 reference
stated in
ChemSpider
ChemSpider ID
4883336
language of work or name
English
title
2-(1,1-Difluoro-2-{(Z)-[4-(2-{[(3-fluoro-4-methyl-2-pyridinyl)methyl]amino}-2-oxoethyl)-5-methyl-3-oxo-3,4-dihydro-2(1H)-pyrazinylidene]ammonio}ethyl)pyridinium (English)
retrieved
19 October 2016
PubChem CID
6323250
1 reference
stated in
PubChem
PubChem CID
6323250
language of work or name
English
title
2-(6-CHLORO-3-{[2,2-DIFLUORO-2-(2-PYRIDINYL)ETHYL]AMINO}-2-OXO-1(2H)-PYRAZINYL)-N-[(2-FLUORO-3-METHYL-6-PYRIDINYL)METHYL]ACETAMIDE (English)
retrieved
19 October 2016
DrugBank ID
07549
1 reference
stated in
DrugBank
DrugBank ID
07549
language of work or name
English
title
2-(6-CHLORO-3-{[2,2-DIFLUORO-2-(2-PYRIDINYL)ETHYL]AMINO}-2-OXO-1(2H)-PYRAZINYL)-N-[(2-FLUORO-3-METHYL-6-PYRIDINYL)METHYL]ACETAMIDE (English)
retrieved
19 October 2016
PDB ligand ID
CDB
0 references
 
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