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

C25H25N5O — CID 129285824

IUPAC5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-6-(2-methyl-3-oxo-1H-isoindol-5-yl)pyridine-2-carbonitrile
SMILESCN1Cc2ccc(-c3nc(C#N)ccc3-c3cnn(CC4(C)CCCC4)c3)cc2C1=O
InChIInChI=1S/C25H25N5O/c1-25(9-3-4-10-25)16-30-15-19(13-27-30)21-8-7-20(12-26)28-23(21)17-5-6-18-14-29(2)24(31)22(18)11-17/h5-8,11,13,15H,3-4,9-10,14,16H2,1-2H3
InChIKeyPREPVVXBTJBVOZ-UHFFFAOYSA-N
MW411.51 g/mol
LogP4.65
Rot. Bonds4

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

5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-6-(2-methyl-3-oxo-1H-isoindol-5-yl)pyridine-2-carbonitrile (PubChem CID 129285824) has the molecular formula C25H25N5O and a molecular weight of 411.51 g/mol. Its IUPAC name is 5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-6-(2-methyl-3-oxo-1H-isoindol-5-yl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-6-(2-methyl-3-oxo-1H-isoindol-5-yl)pyridine-2-carbonitrile
PubChem CID129285824
Molecular FormulaC25H25N5O
Molecular Weight411.51 g/mol
Exact Mass411.21
IUPAC Name5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-6-(2-methyl-3-oxo-1H-isoindol-5-yl)pyridine-2-carbonitrile
SMILESCN1Cc2ccc(-c3nc(C#N)ccc3-c3cnn(CC4(C)CCCC4)c3)cc2C1=O
InChIInChI=1S/C25H25N5O/c1-25(9-3-4-10-25)16-30-15-19(13-27-30)21-8-7-20(12-26)28-23(21)17-5-6-18-14-29(2)24(31)22(18)11-17/h5-8,11,13,15H,3-4,9-10,14,16H2,1-2H3
InChIKeyPREPVVXBTJBVOZ-UHFFFAOYSA-N
XLogP4.65
TPSA74.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-6-(2-methyl-3-oxo-1H-isoindol-5-yl)pyridine-2-carbonitrile?
The IUPAC name of 5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-6-(2-methyl-3-oxo-1H-isoindol-5-yl)pyridine-2-carbonitrile (CID 129285824) is 5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-6-(2-methyl-3-oxo-1H-isoindol-5-yl)pyridine-2-carbonitrile.
What is the SMILES notation for 5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-6-(2-methyl-3-oxo-1H-isoindol-5-yl)pyridine-2-carbonitrile?
The canonical SMILES for 5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-6-(2-methyl-3-oxo-1H-isoindol-5-yl)pyridine-2-carbonitrile is CN1Cc2ccc(-c3nc(C#N)ccc3-c3cnn(CC4(C)CCCC4)c3)cc2C1=O.
What is the InChIKey of 5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-6-(2-methyl-3-oxo-1H-isoindol-5-yl)pyridine-2-carbonitrile?
The InChIKey is PREPVVXBTJBVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O/c1-25(9-3-4-10-25)16-30-15-19(13-27-30)21-8-7-20(12-26)28-23(21)17-5-6-18-14-29(2)24(31)22(18)11-17/h5-8,11,13,15H,3-4,9-10,14,16H2,1-2H3.
What are the key properties of 5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-6-(2-methyl-3-oxo-1H-isoindol-5-yl)pyridine-2-carbonitrile?
5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-6-(2-methyl-3-oxo-1H-isoindol-5-yl)pyridine-2-carbonitrile has a molecular weight of 411.51 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-6-(2-methyl-3-oxo-1H-isoindol-5-yl)pyridine-2-carbonitrile is sourced from PubChem (CID 129285824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).