6-(1,1-dimethyl-3-oxo-2H-isoindol-5-yl)-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile

C26H27N5O — CID 137371251

IUPAC6-(1,1-dimethyl-3-oxo-2H-isoindol-5-yl)-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile
SMILESCC1(Cn2cc(-c3ccc(C#N)nc3-c3ccc4c(c3)C(=O)NC4(C)C)cn2)CCCC1
InChIInChI=1S/C26H27N5O/c1-25(2)22-9-6-17(12-21(22)24(32)30-25)23-20(8-7-19(13-27)29-23)18-14-28-31(15-18)16-26(3)10-4-5-11-26/h6-9,12,14-15H,4-5,10-11,16H2,1-3H3,(H,30,32)
InChIKeyMNPWTYTVVJVFQQ-UHFFFAOYSA-N
MW425.54 g/mol
LogP5.04
Rot. Bonds4

About 6-(1,1-dimethyl-3-oxo-2H-isoindol-5-yl)-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile

6-(1,1-dimethyl-3-oxo-2H-isoindol-5-yl)-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile (PubChem CID 137371251) has the molecular formula C26H27N5O and a molecular weight of 425.54 g/mol. Its IUPAC name is 6-(1,1-dimethyl-3-oxo-2H-isoindol-5-yl)-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(1,1-dimethyl-3-oxo-2H-isoindol-5-yl)-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile
PubChem CID137371251
Molecular FormulaC26H27N5O
Molecular Weight425.54 g/mol
Exact Mass425.22
IUPAC Name6-(1,1-dimethyl-3-oxo-2H-isoindol-5-yl)-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile
SMILESCC1(Cn2cc(-c3ccc(C#N)nc3-c3ccc4c(c3)C(=O)NC4(C)C)cn2)CCCC1
InChIInChI=1S/C26H27N5O/c1-25(2)22-9-6-17(12-21(22)24(32)30-25)23-20(8-7-19(13-27)29-23)18-14-28-31(15-18)16-26(3)10-4-5-11-26/h6-9,12,14-15H,4-5,10-11,16H2,1-3H3,(H,30,32)
InChIKeyMNPWTYTVVJVFQQ-UHFFFAOYSA-N
XLogP5.04
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.54
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[2-(2-fluoroethyl)-3-oxo-1H-isoindol-5-yl]-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile
CID 129285848
6-(3-chloroquinolin-7-yl)-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile
CID 137374153
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
5-[1-(cyclopentylmethyl)pyrazol-4-yl]-6-(3-oxo-1,2-dihydroisoindol-5-yl)pyridine-2-carbonitrile
CID 129285786
3-[5-[3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-3-oxo-1H-isoindol-2-yl]propanenitrile
CID 129285901
6-[2-(cyclopropylmethyl)-3-oxo-1H-isoindol-5-yl]-3-fluoro-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile
CID 129285778
2-methyl-6-[6-methyl-3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]indazole
CID 137373976
2-(2-methoxyethyl)-6-[3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-3H-isoindol-1-one
CID 129301907
5-[1-[[1-(1,1-difluoroethyl)cyclopropyl]methyl]pyrazol-4-yl]-6-(1,2-dimethylbenzimidazol-5-yl)pyridine-2-carbonitrile
CID 137390006
3-fluoro-6-(1-methylbenzimidazol-5-yl)-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile
CID 137374234
6-(2H-benzotriazol-5-yl)-5-[1-(2,2-dimethylpropyl)pyrazol-4-yl]pyridine-2-carbonitrile
CID 137371521

Frequently Asked Questions

What is the IUPAC name of 6-(1,1-dimethyl-3-oxo-2H-isoindol-5-yl)-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile?
The IUPAC name of 6-(1,1-dimethyl-3-oxo-2H-isoindol-5-yl)-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile (CID 137371251) is 6-(1,1-dimethyl-3-oxo-2H-isoindol-5-yl)-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-(1,1-dimethyl-3-oxo-2H-isoindol-5-yl)-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile?
The canonical SMILES for 6-(1,1-dimethyl-3-oxo-2H-isoindol-5-yl)-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile is CC1(Cn2cc(-c3ccc(C#N)nc3-c3ccc4c(c3)C(=O)NC4(C)C)cn2)CCCC1.
What is the InChIKey of 6-(1,1-dimethyl-3-oxo-2H-isoindol-5-yl)-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile?
The InChIKey is MNPWTYTVVJVFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O/c1-25(2)22-9-6-17(12-21(22)24(32)30-25)23-20(8-7-19(13-27)29-23)18-14-28-31(15-18)16-26(3)10-4-5-11-26/h6-9,12,14-15H,4-5,10-11,16H2,1-3H3,(H,30,32).
What are the key properties of 6-(1,1-dimethyl-3-oxo-2H-isoindol-5-yl)-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile?
6-(1,1-dimethyl-3-oxo-2H-isoindol-5-yl)-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile has a molecular weight of 425.54 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1-dimethyl-3-oxo-2H-isoindol-5-yl)-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 137371251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).