3-(4-chlorophenyl)-4-naphthalen-1-yl-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C28H20ClN3O — CID 135620905

IUPAC3-(4-chlorophenyl)-4-naphthalen-1-yl-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESO=C1CC(c2cccc3ccccc23)c2c(-c3ccc(Cl)cc3)nn(-c3ccccc3)c2N1
InChIInChI=1S/C28H20ClN3O/c29-20-15-13-19(14-16-20)27-26-24(23-12-6-8-18-7-4-5-11-22(18)23)17-25(33)30-28(26)32(31-27)21-9-2-1-3-10-21/h1-16,24H,17H2,(H,30,33)
InChIKeyWIVWWWNLODBPNM-UHFFFAOYSA-N
MW449.94 g/mol
LogP6.82
Rot. Bonds3

About 3-(4-chlorophenyl)-4-naphthalen-1-yl-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

3-(4-chlorophenyl)-4-naphthalen-1-yl-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135620905) has the molecular formula C28H20ClN3O and a molecular weight of 449.94 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4-naphthalen-1-yl-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4-naphthalen-1-yl-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135620905
Molecular FormulaC28H20ClN3O
Molecular Weight449.94 g/mol
Exact Mass449.13
IUPAC Name3-(4-chlorophenyl)-4-naphthalen-1-yl-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESO=C1CC(c2cccc3ccccc23)c2c(-c3ccc(Cl)cc3)nn(-c3ccccc3)c2N1
InChIInChI=1S/C28H20ClN3O/c29-20-15-13-19(14-16-20)27-26-24(23-12-6-8-18-7-4-5-11-22(18)23)17-25(33)30-28(26)32(31-27)21-9-2-1-3-10-21/h1-16,24H,17H2,(H,30,33)
InChIKeyWIVWWWNLODBPNM-UHFFFAOYSA-N
XLogP6.82
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.94
LogP ≤ 56.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-chlorophenyl)-4-naphthalen-1-yl-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-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 3-(4-chlorophenyl)-4-naphthalen-1-yl-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 3-(4-chlorophenyl)-4-naphthalen-1-yl-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 135620905) is 3-(4-chlorophenyl)-4-naphthalen-1-yl-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 3-(4-chlorophenyl)-4-naphthalen-1-yl-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 3-(4-chlorophenyl)-4-naphthalen-1-yl-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is O=C1CC(c2cccc3ccccc23)c2c(-c3ccc(Cl)cc3)nn(-c3ccccc3)c2N1.
What is the InChIKey of 3-(4-chlorophenyl)-4-naphthalen-1-yl-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is WIVWWWNLODBPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20ClN3O/c29-20-15-13-19(14-16-20)27-26-24(23-12-6-8-18-7-4-5-11-22(18)23)17-25(33)30-28(26)32(31-27)21-9-2-1-3-10-21/h1-16,24H,17H2,(H,30,33).
What are the key properties of 3-(4-chlorophenyl)-4-naphthalen-1-yl-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
3-(4-chlorophenyl)-4-naphthalen-1-yl-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 449.94 g/mol, XLogP of 6.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-4-naphthalen-1-yl-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135620905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).