6-(3-chloroquinolin-7-yl)-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile

C25H22ClN5 — CID 137374153

IUPAC6-(3-chloroquinolin-7-yl)-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile
SMILESCC1(Cn2cc(-c3ccc(C#N)nc3-c3ccc4cc(Cl)cnc4c3)cn2)CCCC1
InChIInChI=1S/C25H22ClN5/c1-25(8-2-3-9-25)16-31-15-19(13-29-31)22-7-6-21(12-27)30-24(22)18-5-4-17-10-20(26)14-28-23(17)11-18/h4-7,10-11,13-15H,2-3,8-9,16H2,1H3
InChIKeyIMWIISGYXDODIS-UHFFFAOYSA-N
MW427.94 g/mol
LogP6.27
Rot. Bonds4

About 6-(3-chloroquinolin-7-yl)-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile

6-(3-chloroquinolin-7-yl)-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile (PubChem CID 137374153) has the molecular formula C25H22ClN5 and a molecular weight of 427.94 g/mol. Its IUPAC name is 6-(3-chloroquinolin-7-yl)-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(3-chloroquinolin-7-yl)-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile
PubChem CID137374153
Molecular FormulaC25H22ClN5
Molecular Weight427.94 g/mol
Exact Mass427.16
IUPAC Name6-(3-chloroquinolin-7-yl)-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile
SMILESCC1(Cn2cc(-c3ccc(C#N)nc3-c3ccc4cc(Cl)cnc4c3)cn2)CCCC1
InChIInChI=1S/C25H22ClN5/c1-25(8-2-3-9-25)16-31-15-19(13-29-31)22-7-6-21(12-27)30-24(22)18-5-4-17-10-20(26)14-28-23(17)11-18/h4-7,10-11,13-15H,2-3,8-9,16H2,1H3
InChIKeyIMWIISGYXDODIS-UHFFFAOYSA-N
XLogP6.27
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.94
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-chloro-1-methylbenzimidazol-5-yl)-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile
CID 137374374
6-chloro-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile
CID 129285789
6-(1,1-dimethyl-3-oxo-2H-isoindol-5-yl)-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile
CID 137371251
6-[2-(2-fluoroethyl)-3-oxo-1H-isoindol-5-yl]-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile
CID 129285848
2-methyl-6-[6-methyl-3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]indazole
CID 137373976
6-quinolin-7-yl-5-[1-(spiro[2.2]pentan-2-ylmethyl)pyrazol-4-yl]pyridine-2-carbonitrile
CID 151401083
3-fluoro-6-(1-methylbenzimidazol-5-yl)-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile
CID 137374234
5-[1-[[1-(1,1-difluoroethyl)cyclopropyl]methyl]pyrazol-4-yl]-6-(1,2-dimethylbenzimidazol-5-yl)pyridine-2-carbonitrile
CID 137390006
6-[2-[[3-[[5-chloro-4-(6-cyano-2-imidazo[1,2-a]pyridin-7-yl-3-pyridinyl)pyrazol-1-yl]methyl]-3-methylcyclopentyl]oxymethyl]imidazo[1,2-a]pyridin-7-yl]-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile
CID 137389387
2-chloro-6-methyl-3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine
CID 129301800
5-[1-(2,2-difluoro-3-hydroxy-3-methylbutyl)pyrazol-4-yl]-6-quinolin-7-ylpyridine-2-carbonitrile
CID 151465416
5-[1-(2,2-dimethylpropyl)pyrazol-4-yl]-6-(2-methylbenzotriazol-5-yl)pyridine-2-carbonitrile
CID 137373863

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloroquinolin-7-yl)-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile?
The IUPAC name of 6-(3-chloroquinolin-7-yl)-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile (CID 137374153) is 6-(3-chloroquinolin-7-yl)-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-(3-chloroquinolin-7-yl)-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile?
The canonical SMILES for 6-(3-chloroquinolin-7-yl)-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile is CC1(Cn2cc(-c3ccc(C#N)nc3-c3ccc4cc(Cl)cnc4c3)cn2)CCCC1.
What is the InChIKey of 6-(3-chloroquinolin-7-yl)-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile?
The InChIKey is IMWIISGYXDODIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN5/c1-25(8-2-3-9-25)16-31-15-19(13-29-31)22-7-6-21(12-27)30-24(22)18-5-4-17-10-20(26)14-28-23(17)11-18/h4-7,10-11,13-15H,2-3,8-9,16H2,1H3.
What are the key properties of 6-(3-chloroquinolin-7-yl)-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile?
6-(3-chloroquinolin-7-yl)-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile has a molecular weight of 427.94 g/mol, XLogP of 6.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloroquinolin-7-yl)-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 137374153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).