1-cyclopentyl-6-(2-methylphenyl)-3-propyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one

C21H27N3O — CID 71179514

IUPAC1-cyclopentyl-6-(2-methylphenyl)-3-propyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
SMILESCCCc1nn(C2CCCC2)c2c1CCN(c1ccccc1C)C2=O
InChIInChI=1S/C21H27N3O/c1-3-8-18-17-13-14-23(19-12-7-4-9-15(19)2)21(25)20(17)24(22-18)16-10-5-6-11-16/h4,7,9,12,16H,3,5-6,8,10-11,13-14H2,1-2H3
InChIKeyNVLVGNNHMBSDAA-UHFFFAOYSA-N
MW337.47 g/mol
LogP4.46
Rot. Bonds4

About 1-cyclopentyl-6-(2-methylphenyl)-3-propyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one

1-cyclopentyl-6-(2-methylphenyl)-3-propyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one (PubChem CID 71179514) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is 1-cyclopentyl-6-(2-methylphenyl)-3-propyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one.

Molecular Properties

Compound Name1-cyclopentyl-6-(2-methylphenyl)-3-propyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
PubChem CID71179514
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name1-cyclopentyl-6-(2-methylphenyl)-3-propyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
SMILESCCCc1nn(C2CCCC2)c2c1CCN(c1ccccc1C)C2=O
InChIInChI=1S/C21H27N3O/c1-3-8-18-17-13-14-23(19-12-7-4-9-15(19)2)21(25)20(17)24(22-18)16-10-5-6-11-16/h4,7,9,12,16H,3,5-6,8,10-11,13-14H2,1-2H3
InChIKeyNVLVGNNHMBSDAA-UHFFFAOYSA-N
XLogP4.46
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-6-(2-methylphenyl)-3-propyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
The IUPAC name of 1-cyclopentyl-6-(2-methylphenyl)-3-propyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one (CID 71179514) is 1-cyclopentyl-6-(2-methylphenyl)-3-propyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one.
What is the SMILES notation for 1-cyclopentyl-6-(2-methylphenyl)-3-propyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
The canonical SMILES for 1-cyclopentyl-6-(2-methylphenyl)-3-propyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one is CCCc1nn(C2CCCC2)c2c1CCN(c1ccccc1C)C2=O.
What is the InChIKey of 1-cyclopentyl-6-(2-methylphenyl)-3-propyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
The InChIKey is NVLVGNNHMBSDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-3-8-18-17-13-14-23(19-12-7-4-9-15(19)2)21(25)20(17)24(22-18)16-10-5-6-11-16/h4,7,9,12,16H,3,5-6,8,10-11,13-14H2,1-2H3.
What are the key properties of 1-cyclopentyl-6-(2-methylphenyl)-3-propyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
1-cyclopentyl-6-(2-methylphenyl)-3-propyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one has a molecular weight of 337.47 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-6-(2-methylphenyl)-3-propyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one is sourced from PubChem (CID 71179514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).