1'-benzyl-6-(4-chlorophenyl)-2'-oxo-1,3-diphenylspiro[7H-pyrazolo[5,4-b]pyridine-4,3'-indole]-5-carbonitrile

C39H26ClN5O — CID 175663566

IUPAC1'-benzyl-6-(4-chlorophenyl)-2'-oxo-1,3-diphenylspiro[7H-pyrazolo[5,4-b]pyridine-4,3'-indole]-5-carbonitrile
SMILESN#CC1=C(c2ccc(Cl)cc2)Nc2c(c(-c3ccccc3)nn2-c2ccccc2)C12C(=O)N(Cc1ccccc1)c1ccccc12
InChIInChI=1S/C39H26ClN5O/c40-29-22-20-28(21-23-29)35-32(24-41)39(31-18-10-11-19-33(31)44(38(39)46)25-26-12-4-1-5-13-26)34-36(27-14-6-2-7-15-27)43-45(37(34)42-35)30-16-8-3-9-17-30/h1-23,42H,25H2
InChIKeyBQZUBQZHKWGXAD-UHFFFAOYSA-N
MW616.12 g/mol
LogP8.39
Rot. Bonds5

About 1'-benzyl-6-(4-chlorophenyl)-2'-oxo-1,3-diphenylspiro[7H-pyrazolo[5,4-b]pyridine-4,3'-indole]-5-carbonitrile

1'-benzyl-6-(4-chlorophenyl)-2'-oxo-1,3-diphenylspiro[7H-pyrazolo[5,4-b]pyridine-4,3'-indole]-5-carbonitrile (PubChem CID 175663566) has the molecular formula C39H26ClN5O and a molecular weight of 616.12 g/mol. Its IUPAC name is 1'-benzyl-6-(4-chlorophenyl)-2'-oxo-1,3-diphenylspiro[7H-pyrazolo[5,4-b]pyridine-4,3'-indole]-5-carbonitrile.

Molecular Properties

Compound Name1'-benzyl-6-(4-chlorophenyl)-2'-oxo-1,3-diphenylspiro[7H-pyrazolo[5,4-b]pyridine-4,3'-indole]-5-carbonitrile
PubChem CID175663566
Molecular FormulaC39H26ClN5O
Molecular Weight616.12 g/mol
Exact Mass615.18
IUPAC Name1'-benzyl-6-(4-chlorophenyl)-2'-oxo-1,3-diphenylspiro[7H-pyrazolo[5,4-b]pyridine-4,3'-indole]-5-carbonitrile
SMILESN#CC1=C(c2ccc(Cl)cc2)Nc2c(c(-c3ccccc3)nn2-c2ccccc2)C12C(=O)N(Cc1ccccc1)c1ccccc12
InChIInChI=1S/C39H26ClN5O/c40-29-22-20-28(21-23-29)35-32(24-41)39(31-18-10-11-19-33(31)44(38(39)46)25-26-12-4-1-5-13-26)34-36(27-14-6-2-7-15-27)43-45(37(34)42-35)30-16-8-3-9-17-30/h1-23,42H,25H2
InChIKeyBQZUBQZHKWGXAD-UHFFFAOYSA-N
XLogP8.39
TPSA73.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.12
LogP ≤ 58.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1'-benzyl-6-(4-chlorophenyl)-2'-oxo-1,3-diphenylspiro[7H-pyrazolo[5,4-b]pyridine-4,3'-indole]-5-carbonitrile 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 1'-benzyl-6-(4-chlorophenyl)-2'-oxo-1,3-diphenylspiro[7H-pyrazolo[5,4-b]pyridine-4,3'-indole]-5-carbonitrile?
The IUPAC name of 1'-benzyl-6-(4-chlorophenyl)-2'-oxo-1,3-diphenylspiro[7H-pyrazolo[5,4-b]pyridine-4,3'-indole]-5-carbonitrile (CID 175663566) is 1'-benzyl-6-(4-chlorophenyl)-2'-oxo-1,3-diphenylspiro[7H-pyrazolo[5,4-b]pyridine-4,3'-indole]-5-carbonitrile.
What is the SMILES notation for 1'-benzyl-6-(4-chlorophenyl)-2'-oxo-1,3-diphenylspiro[7H-pyrazolo[5,4-b]pyridine-4,3'-indole]-5-carbonitrile?
The canonical SMILES for 1'-benzyl-6-(4-chlorophenyl)-2'-oxo-1,3-diphenylspiro[7H-pyrazolo[5,4-b]pyridine-4,3'-indole]-5-carbonitrile is N#CC1=C(c2ccc(Cl)cc2)Nc2c(c(-c3ccccc3)nn2-c2ccccc2)C12C(=O)N(Cc1ccccc1)c1ccccc12.
What is the InChIKey of 1'-benzyl-6-(4-chlorophenyl)-2'-oxo-1,3-diphenylspiro[7H-pyrazolo[5,4-b]pyridine-4,3'-indole]-5-carbonitrile?
The InChIKey is BQZUBQZHKWGXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H26ClN5O/c40-29-22-20-28(21-23-29)35-32(24-41)39(31-18-10-11-19-33(31)44(38(39)46)25-26-12-4-1-5-13-26)34-36(27-14-6-2-7-15-27)43-45(37(34)42-35)30-16-8-3-9-17-30/h1-23,42H,25H2.
What are the key properties of 1'-benzyl-6-(4-chlorophenyl)-2'-oxo-1,3-diphenylspiro[7H-pyrazolo[5,4-b]pyridine-4,3'-indole]-5-carbonitrile?
1'-benzyl-6-(4-chlorophenyl)-2'-oxo-1,3-diphenylspiro[7H-pyrazolo[5,4-b]pyridine-4,3'-indole]-5-carbonitrile has a molecular weight of 616.12 g/mol, XLogP of 8.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-benzyl-6-(4-chlorophenyl)-2'-oxo-1,3-diphenylspiro[7H-pyrazolo[5,4-b]pyridine-4,3'-indole]-5-carbonitrile is sourced from PubChem (CID 175663566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).