5-[1-(cyclopentylmethyl)pyrazol-4-yl]-6-(3-oxo-1,2-dihydroisoindol-5-yl)pyridine-2-carbonitrile

C23H21N5O — CID 129285786

IUPAC5-[1-(cyclopentylmethyl)pyrazol-4-yl]-6-(3-oxo-1,2-dihydroisoindol-5-yl)pyridine-2-carbonitrile
SMILESN#Cc1ccc(-c2cnn(CC3CCCC3)c2)c(-c2ccc3c(c2)C(=O)NC3)n1
InChIInChI=1S/C23H21N5O/c24-10-19-7-8-20(18-12-26-28(14-18)13-15-3-1-2-4-15)22(27-19)16-5-6-17-11-25-23(29)21(17)9-16/h5-9,12,14-15H,1-4,11,13H2,(H,25,29)
InChIKeyNXKABVITNRPXOG-UHFFFAOYSA-N
MW383.46 g/mol
LogP3.92
Rot. Bonds4

About 5-[1-(cyclopentylmethyl)pyrazol-4-yl]-6-(3-oxo-1,2-dihydroisoindol-5-yl)pyridine-2-carbonitrile

5-[1-(cyclopentylmethyl)pyrazol-4-yl]-6-(3-oxo-1,2-dihydroisoindol-5-yl)pyridine-2-carbonitrile (PubChem CID 129285786) has the molecular formula C23H21N5O and a molecular weight of 383.46 g/mol. Its IUPAC name is 5-[1-(cyclopentylmethyl)pyrazol-4-yl]-6-(3-oxo-1,2-dihydroisoindol-5-yl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[1-(cyclopentylmethyl)pyrazol-4-yl]-6-(3-oxo-1,2-dihydroisoindol-5-yl)pyridine-2-carbonitrile
PubChem CID129285786
Molecular FormulaC23H21N5O
Molecular Weight383.46 g/mol
Exact Mass383.17
IUPAC Name5-[1-(cyclopentylmethyl)pyrazol-4-yl]-6-(3-oxo-1,2-dihydroisoindol-5-yl)pyridine-2-carbonitrile
SMILESN#Cc1ccc(-c2cnn(CC3CCCC3)c2)c(-c2ccc3c(c2)C(=O)NC3)n1
InChIInChI=1S/C23H21N5O/c24-10-19-7-8-20(18-12-26-28(14-18)13-15-3-1-2-4-15)22(27-19)16-5-6-17-11-25-23(29)21(17)9-16/h5-9,12,14-15H,1-4,11,13H2,(H,25,29)
InChIKeyNXKABVITNRPXOG-UHFFFAOYSA-N
XLogP3.92
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[6-chloro-3-[1-(cyclopentylmethyl)pyrazol-4-yl]-2-pyridinyl]-2-methyl-3H-isoindol-1-one
CID 129282235
6-(1,1-dimethyl-3-oxo-2H-isoindol-5-yl)-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile
CID 137371251
6-[6-chloro-3-(1-methylpyrazol-4-yl)-2-pyridinyl]-2,3-dihydroisoindol-1-one
CID 142510634
6-(2-cyclopropyl-3-oxo-1H-isoindol-5-yl)-5-[1-(2-fluoro-2-methylpentyl)pyrazol-4-yl]pyridine-2-carbonitrile
CID 142510542
5-[1-[[(3R,4R)-3,4-difluorocyclopentyl]methyl]pyrazol-4-yl]-6-(2-methylimidazo[1,2-a]pyridin-7-yl)pyridine-2-carbonitrile
CID 137374130
6-(2H-benzotriazol-5-yl)-5-[1-(2,2-dimethylpropyl)pyrazol-4-yl]pyridine-2-carbonitrile
CID 137371521
6-[2-(2-fluoroethyl)-3-oxo-1H-isoindol-5-yl]-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile
CID 129285848
6-(1,2-dimethylbenzimidazol-5-yl)-5-[1-[(3-fluorocyclobutyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile
CID 137390414
6-chloro-5-[1-[[(3R,4R)-3,4-difluorocyclopentyl]methyl]pyrazol-4-yl]pyridine-2-carbonitrile
CID 137391908
6-quinolin-7-yl-5-[1-(spiro[2.2]pentan-2-ylmethyl)pyrazol-4-yl]pyridine-2-carbonitrile
CID 151401083
2-[1-(cyclohexylmethyl)pyrazol-4-yl]-4-methylbenzonitrile
CID 172915473
6-[3-[1-(3-fluoro-3-methylbutyl)pyrazol-4-yl]-6-methyl-2-pyridinyl]-2-methyl-3-[1-[[4-[6-methyl-2-(3-oxo-1,2-dihydroisoindol-5-yl)-3-pyridinyl]pyrazol-1-yl]methyl]-2-bicyclo[1.1.1]pentanyl]-3H-isoindol-1-one
CID 137392241

Frequently Asked Questions

What is the IUPAC name of 5-[1-(cyclopentylmethyl)pyrazol-4-yl]-6-(3-oxo-1,2-dihydroisoindol-5-yl)pyridine-2-carbonitrile?
The IUPAC name of 5-[1-(cyclopentylmethyl)pyrazol-4-yl]-6-(3-oxo-1,2-dihydroisoindol-5-yl)pyridine-2-carbonitrile (CID 129285786) is 5-[1-(cyclopentylmethyl)pyrazol-4-yl]-6-(3-oxo-1,2-dihydroisoindol-5-yl)pyridine-2-carbonitrile.
What is the SMILES notation for 5-[1-(cyclopentylmethyl)pyrazol-4-yl]-6-(3-oxo-1,2-dihydroisoindol-5-yl)pyridine-2-carbonitrile?
The canonical SMILES for 5-[1-(cyclopentylmethyl)pyrazol-4-yl]-6-(3-oxo-1,2-dihydroisoindol-5-yl)pyridine-2-carbonitrile is N#Cc1ccc(-c2cnn(CC3CCCC3)c2)c(-c2ccc3c(c2)C(=O)NC3)n1.
What is the InChIKey of 5-[1-(cyclopentylmethyl)pyrazol-4-yl]-6-(3-oxo-1,2-dihydroisoindol-5-yl)pyridine-2-carbonitrile?
The InChIKey is NXKABVITNRPXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O/c24-10-19-7-8-20(18-12-26-28(14-18)13-15-3-1-2-4-15)22(27-19)16-5-6-17-11-25-23(29)21(17)9-16/h5-9,12,14-15H,1-4,11,13H2,(H,25,29).
What are the key properties of 5-[1-(cyclopentylmethyl)pyrazol-4-yl]-6-(3-oxo-1,2-dihydroisoindol-5-yl)pyridine-2-carbonitrile?
5-[1-(cyclopentylmethyl)pyrazol-4-yl]-6-(3-oxo-1,2-dihydroisoindol-5-yl)pyridine-2-carbonitrile has a molecular weight of 383.46 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(cyclopentylmethyl)pyrazol-4-yl]-6-(3-oxo-1,2-dihydroisoindol-5-yl)pyridine-2-carbonitrile is sourced from PubChem (CID 129285786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).