4-[[6-[4-cyano-1-(2-hydroxyethyl)imidazol-2-yl]-3-pyridinyl]amino]-1-(2,6-dichlorophenyl)pyrazole-3-carboxamide

C21H16Cl2N8O2 — CID 162440202

IUPAC4-[[6-[4-cyano-1-(2-hydroxyethyl)imidazol-2-yl]-3-pyridinyl]amino]-1-(2,6-dichlorophenyl)pyrazole-3-carboxamide
SMILESN#Cc1cn(CCO)c(-c2ccc(Nc3cn(-c4c(Cl)cccc4Cl)nc3C(N)=O)cn2)n1
InChIInChI=1S/C21H16Cl2N8O2/c22-14-2-1-3-15(23)19(14)31-11-17(18(29-31)20(25)33)27-12-4-5-16(26-9-12)21-28-13(8-24)10-30(21)6-7-32/h1-5,9-11,27,32H,6-7H2,(H2,25,33)
InChIKeyWDQLYHFFAIRFQZ-UHFFFAOYSA-N
MW483.32 g/mol
LogP3.14
Rot. Bonds7

About 4-[[6-[4-cyano-1-(2-hydroxyethyl)imidazol-2-yl]-3-pyridinyl]amino]-1-(2,6-dichlorophenyl)pyrazole-3-carboxamide

4-[[6-[4-cyano-1-(2-hydroxyethyl)imidazol-2-yl]-3-pyridinyl]amino]-1-(2,6-dichlorophenyl)pyrazole-3-carboxamide (PubChem CID 162440202) has the molecular formula C21H16Cl2N8O2 and a molecular weight of 483.32 g/mol. Its IUPAC name is 4-[[6-[4-cyano-1-(2-hydroxyethyl)imidazol-2-yl]-3-pyridinyl]amino]-1-(2,6-dichlorophenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-[[6-[4-cyano-1-(2-hydroxyethyl)imidazol-2-yl]-3-pyridinyl]amino]-1-(2,6-dichlorophenyl)pyrazole-3-carboxamide
PubChem CID162440202
Molecular FormulaC21H16Cl2N8O2
Molecular Weight483.32 g/mol
Exact Mass482.08
IUPAC Name4-[[6-[4-cyano-1-(2-hydroxyethyl)imidazol-2-yl]-3-pyridinyl]amino]-1-(2,6-dichlorophenyl)pyrazole-3-carboxamide
SMILESN#Cc1cn(CCO)c(-c2ccc(Nc3cn(-c4c(Cl)cccc4Cl)nc3C(N)=O)cn2)n1
InChIInChI=1S/C21H16Cl2N8O2/c22-14-2-1-3-15(23)19(14)31-11-17(18(29-31)20(25)33)27-12-4-5-16(26-9-12)21-28-13(8-24)10-30(21)6-7-32/h1-5,9-11,27,32H,6-7H2,(H2,25,33)
InChIKeyWDQLYHFFAIRFQZ-UHFFFAOYSA-N
XLogP3.14
TPSA147.67 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.32
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

1-(2,6-dichlorophenyl)-4-[4-[1-(2-hydroxyethyl)-4-(trifluoromethyl)imidazol-2-yl]anilino]pyrazole-3-carboxamide
CID 162440287
1-(2,6-dichlorophenyl)-4-[[6-(5-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)-3-pyridinyl]amino]pyrazole-3-carboxamide
CID 162440288
1-(2,6-dichlorophenyl)-4-[4-[1-propyl-4-(trifluoromethyl)imidazol-2-yl]anilino]pyrazole-3-carboxamide
CID 162440488
1-(2,6-dichlorophenyl)-4-(1H-pyrazol-4-ylamino)pyrazole-3-carboxamide
CID 162440340
1-(2,6-dichlorophenyl)-4-[4-[5-(hydroxymethyl)-1,2,4-triazol-1-yl]anilino]pyrazole-3-carboxamide
CID 162440198
1-(2,6-dichlorophenyl)-4-[4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]anilino]pyrazole-3-carboxamide
CID 162440046
1-(2,6-dichlorophenyl)-4-[4-(3,4-dimethylpyrazol-1-yl)anilino]pyrazole-3-carboxamide
CID 162440267
1-(2,6-dichlorophenyl)-4-[4-[1-[2-(dimethylamino)ethyl]-4-(trifluoromethyl)imidazol-2-yl]anilino]pyrazole-3-carboxamide
CID 162440450
1-(2,6-dichlorophenyl)-4-[4-(5-ethyl-4-methylpyrazol-1-yl)anilino]pyrazole-3-carboxamide
CID 162440475
1-(2,6-dichlorophenyl)-4-[4-[2-propyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]anilino]pyrazole-3-carboxamide
CID 162439995
1-(2,6-dichlorophenyl)-4-[(2-methyl-1,2,4-triazol-3-yl)amino]pyrazole-3-carboxamide
CID 162440656
1-(2,6-dichlorophenyl)-4-[4-(3-fluorophenyl)anilino]pyrazole-3-carboxamide
CID 162440132

Frequently Asked Questions

What is the IUPAC name of 4-[[6-[4-cyano-1-(2-hydroxyethyl)imidazol-2-yl]-3-pyridinyl]amino]-1-(2,6-dichlorophenyl)pyrazole-3-carboxamide?
The IUPAC name of 4-[[6-[4-cyano-1-(2-hydroxyethyl)imidazol-2-yl]-3-pyridinyl]amino]-1-(2,6-dichlorophenyl)pyrazole-3-carboxamide (CID 162440202) is 4-[[6-[4-cyano-1-(2-hydroxyethyl)imidazol-2-yl]-3-pyridinyl]amino]-1-(2,6-dichlorophenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-[[6-[4-cyano-1-(2-hydroxyethyl)imidazol-2-yl]-3-pyridinyl]amino]-1-(2,6-dichlorophenyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-[[6-[4-cyano-1-(2-hydroxyethyl)imidazol-2-yl]-3-pyridinyl]amino]-1-(2,6-dichlorophenyl)pyrazole-3-carboxamide is N#Cc1cn(CCO)c(-c2ccc(Nc3cn(-c4c(Cl)cccc4Cl)nc3C(N)=O)cn2)n1.
What is the InChIKey of 4-[[6-[4-cyano-1-(2-hydroxyethyl)imidazol-2-yl]-3-pyridinyl]amino]-1-(2,6-dichlorophenyl)pyrazole-3-carboxamide?
The InChIKey is WDQLYHFFAIRFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2N8O2/c22-14-2-1-3-15(23)19(14)31-11-17(18(29-31)20(25)33)27-12-4-5-16(26-9-12)21-28-13(8-24)10-30(21)6-7-32/h1-5,9-11,27,32H,6-7H2,(H2,25,33).
What are the key properties of 4-[[6-[4-cyano-1-(2-hydroxyethyl)imidazol-2-yl]-3-pyridinyl]amino]-1-(2,6-dichlorophenyl)pyrazole-3-carboxamide?
4-[[6-[4-cyano-1-(2-hydroxyethyl)imidazol-2-yl]-3-pyridinyl]amino]-1-(2,6-dichlorophenyl)pyrazole-3-carboxamide has a molecular weight of 483.32 g/mol, XLogP of 3.14, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-[4-cyano-1-(2-hydroxyethyl)imidazol-2-yl]-3-pyridinyl]amino]-1-(2,6-dichlorophenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 162440202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).