6-(3-hydroxybenzoyl)-2-phenyl-1-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one

C25H22N4O3 — CID 134810235

IUPAC6-(3-hydroxybenzoyl)-2-phenyl-1-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one
SMILESO=C(c1cccc(O)c1)N1CCc2c(n(Cc3cccnc3)n(-c3ccccc3)c2=O)C1
InChIInChI=1S/C25H22N4O3/c30-21-10-4-7-19(14-21)24(31)27-13-11-22-23(17-27)28(16-18-6-5-12-26-15-18)29(25(22)32)20-8-2-1-3-9-20/h1-10,12,14-15,30H,11,13,16-17H2
InChIKeyROLSMBBEPPJTJJ-UHFFFAOYSA-N
MW426.48 g/mol
LogP2.99
Rot. Bonds4

About 6-(3-hydroxybenzoyl)-2-phenyl-1-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one

6-(3-hydroxybenzoyl)-2-phenyl-1-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one (PubChem CID 134810235) has the molecular formula C25H22N4O3 and a molecular weight of 426.48 g/mol. Its IUPAC name is 6-(3-hydroxybenzoyl)-2-phenyl-1-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name6-(3-hydroxybenzoyl)-2-phenyl-1-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one
PubChem CID134810235
Molecular FormulaC25H22N4O3
Molecular Weight426.48 g/mol
Exact Mass426.17
IUPAC Name6-(3-hydroxybenzoyl)-2-phenyl-1-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one
SMILESO=C(c1cccc(O)c1)N1CCc2c(n(Cc3cccnc3)n(-c3ccccc3)c2=O)C1
InChIInChI=1S/C25H22N4O3/c30-21-10-4-7-19(14-21)24(31)27-13-11-22-23(17-27)28(16-18-6-5-12-26-15-18)29(25(22)32)20-8-2-1-3-9-20/h1-10,12,14-15,30H,11,13,16-17H2
InChIKeyROLSMBBEPPJTJJ-UHFFFAOYSA-N
XLogP2.99
TPSA80.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(3-hydroxybenzoyl)-2-phenyl-1-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(3-hydroxybenzoyl)-2-phenyl-1-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one?
The IUPAC name of 6-(3-hydroxybenzoyl)-2-phenyl-1-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one (CID 134810235) is 6-(3-hydroxybenzoyl)-2-phenyl-1-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one.
What is the SMILES notation for 6-(3-hydroxybenzoyl)-2-phenyl-1-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one?
The canonical SMILES for 6-(3-hydroxybenzoyl)-2-phenyl-1-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one is O=C(c1cccc(O)c1)N1CCc2c(n(Cc3cccnc3)n(-c3ccccc3)c2=O)C1.
What is the InChIKey of 6-(3-hydroxybenzoyl)-2-phenyl-1-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one?
The InChIKey is ROLSMBBEPPJTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O3/c30-21-10-4-7-19(14-21)24(31)27-13-11-22-23(17-27)28(16-18-6-5-12-26-15-18)29(25(22)32)20-8-2-1-3-9-20/h1-10,12,14-15,30H,11,13,16-17H2.
What are the key properties of 6-(3-hydroxybenzoyl)-2-phenyl-1-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one?
6-(3-hydroxybenzoyl)-2-phenyl-1-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one has a molecular weight of 426.48 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-hydroxybenzoyl)-2-phenyl-1-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one is sourced from PubChem (CID 134810235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).