6-benzyl-1-cyclopentyl-3-ethyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one

C20H25N3O — CID 10496166

IUPAC6-benzyl-1-cyclopentyl-3-ethyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
SMILESCCc1nn(C2CCCC2)c2c1CCN(Cc1ccccc1)C2=O
InChIInChI=1S/C20H25N3O/c1-2-18-17-12-13-22(14-15-8-4-3-5-9-15)20(24)19(17)23(21-18)16-10-6-7-11-16/h3-5,8-9,16H,2,6-7,10-14H2,1H3
InChIKeyADOAZIKBUBDHPW-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.76
Rot. Bonds4

About 6-benzyl-1-cyclopentyl-3-ethyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one

6-benzyl-1-cyclopentyl-3-ethyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one (PubChem CID 10496166) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 6-benzyl-1-cyclopentyl-3-ethyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one.

Molecular Properties

Compound Name6-benzyl-1-cyclopentyl-3-ethyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
PubChem CID10496166
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name6-benzyl-1-cyclopentyl-3-ethyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
SMILESCCc1nn(C2CCCC2)c2c1CCN(Cc1ccccc1)C2=O
InChIInChI=1S/C20H25N3O/c1-2-18-17-12-13-22(14-15-8-4-3-5-9-15)20(24)19(17)23(21-18)16-10-6-7-11-16/h3-5,8-9,16H,2,6-7,10-14H2,1H3
InChIKeyADOAZIKBUBDHPW-UHFFFAOYSA-N
XLogP3.76
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-1-cyclopentyl-3-ethyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
The IUPAC name of 6-benzyl-1-cyclopentyl-3-ethyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one (CID 10496166) is 6-benzyl-1-cyclopentyl-3-ethyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one.
What is the SMILES notation for 6-benzyl-1-cyclopentyl-3-ethyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
The canonical SMILES for 6-benzyl-1-cyclopentyl-3-ethyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one is CCc1nn(C2CCCC2)c2c1CCN(Cc1ccccc1)C2=O.
What is the InChIKey of 6-benzyl-1-cyclopentyl-3-ethyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
The InChIKey is ADOAZIKBUBDHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-2-18-17-12-13-22(14-15-8-4-3-5-9-15)20(24)19(17)23(21-18)16-10-6-7-11-16/h3-5,8-9,16H,2,6-7,10-14H2,1H3.
What are the key properties of 6-benzyl-1-cyclopentyl-3-ethyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
6-benzyl-1-cyclopentyl-3-ethyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one has a molecular weight of 323.44 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-1-cyclopentyl-3-ethyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one is sourced from PubChem (CID 10496166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).