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

C20H25N3O2 — CID 10593194

IUPAC1-cyclopentyl-3-ethyl-6-(3-methoxyphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
SMILESCCc1nn(C2CCCC2)c2c1CCN(c1cccc(OC)c1)C2=O
InChIInChI=1S/C20H25N3O2/c1-3-18-17-11-12-22(15-9-6-10-16(13-15)25-2)20(24)19(17)23(21-18)14-7-4-5-8-14/h6,9-10,13-14H,3-5,7-8,11-12H2,1-2H3
InChIKeyAUHPGOLYFSHALS-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.77
Rot. Bonds4

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

1-cyclopentyl-3-ethyl-6-(3-methoxyphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one (PubChem CID 10593194) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-cyclopentyl-3-ethyl-6-(3-methoxyphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one.

Molecular Properties

Compound Name1-cyclopentyl-3-ethyl-6-(3-methoxyphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
PubChem CID10593194
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name1-cyclopentyl-3-ethyl-6-(3-methoxyphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
SMILESCCc1nn(C2CCCC2)c2c1CCN(c1cccc(OC)c1)C2=O
InChIInChI=1S/C20H25N3O2/c1-3-18-17-11-12-22(15-9-6-10-16(13-15)25-2)20(24)19(17)23(21-18)14-7-4-5-8-14/h6,9-10,13-14H,3-5,7-8,11-12H2,1-2H3
InChIKeyAUHPGOLYFSHALS-UHFFFAOYSA-N
XLogP3.77
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-ethyl-6-(3-methoxyphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
The IUPAC name of 1-cyclopentyl-3-ethyl-6-(3-methoxyphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one (CID 10593194) is 1-cyclopentyl-3-ethyl-6-(3-methoxyphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one.
What is the SMILES notation for 1-cyclopentyl-3-ethyl-6-(3-methoxyphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
The canonical SMILES for 1-cyclopentyl-3-ethyl-6-(3-methoxyphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one is CCc1nn(C2CCCC2)c2c1CCN(c1cccc(OC)c1)C2=O.
What is the InChIKey of 1-cyclopentyl-3-ethyl-6-(3-methoxyphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
The InChIKey is AUHPGOLYFSHALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-3-18-17-11-12-22(15-9-6-10-16(13-15)25-2)20(24)19(17)23(21-18)14-7-4-5-8-14/h6,9-10,13-14H,3-5,7-8,11-12H2,1-2H3.
What are the key properties of 1-cyclopentyl-3-ethyl-6-(3-methoxyphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
1-cyclopentyl-3-ethyl-6-(3-methoxyphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one has a molecular weight of 339.44 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-ethyl-6-(3-methoxyphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one is sourced from PubChem (CID 10593194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).