2-(4-benzoyl-3-methyl-1,6-diphenylpyrazolo[3,4-b]pyridin-5-yl)-N-(4-chlorophenyl)-2-oxoacetamide

C34H23ClN4O3 — CID 132571321

IUPAC2-(4-benzoyl-3-methyl-1,6-diphenylpyrazolo[3,4-b]pyridin-5-yl)-N-(4-chlorophenyl)-2-oxoacetamide
SMILESCc1nn(-c2ccccc2)c2nc(-c3ccccc3)c(C(=O)C(=O)Nc3ccc(Cl)cc3)c(C(=O)c3ccccc3)c12
InChIInChI=1S/C34H23ClN4O3/c1-21-27-28(31(40)23-13-7-3-8-14-23)29(32(41)34(42)36-25-19-17-24(35)18-20-25)30(22-11-5-2-6-12-22)37-33(27)39(38-21)26-15-9-4-10-16-26/h2-20H,1H3,(H,36,42)
InChIKeyOLXSCIPPAGGVPT-UHFFFAOYSA-N
MW571.04 g/mol
LogP7.10
Rot. Bonds7

About 2-(4-benzoyl-3-methyl-1,6-diphenylpyrazolo[3,4-b]pyridin-5-yl)-N-(4-chlorophenyl)-2-oxoacetamide

2-(4-benzoyl-3-methyl-1,6-diphenylpyrazolo[3,4-b]pyridin-5-yl)-N-(4-chlorophenyl)-2-oxoacetamide (PubChem CID 132571321) has the molecular formula C34H23ClN4O3 and a molecular weight of 571.04 g/mol. Its IUPAC name is 2-(4-benzoyl-3-methyl-1,6-diphenylpyrazolo[3,4-b]pyridin-5-yl)-N-(4-chlorophenyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-(4-benzoyl-3-methyl-1,6-diphenylpyrazolo[3,4-b]pyridin-5-yl)-N-(4-chlorophenyl)-2-oxoacetamide
PubChem CID132571321
Molecular FormulaC34H23ClN4O3
Molecular Weight571.04 g/mol
Exact Mass570.15
IUPAC Name2-(4-benzoyl-3-methyl-1,6-diphenylpyrazolo[3,4-b]pyridin-5-yl)-N-(4-chlorophenyl)-2-oxoacetamide
SMILESCc1nn(-c2ccccc2)c2nc(-c3ccccc3)c(C(=O)C(=O)Nc3ccc(Cl)cc3)c(C(=O)c3ccccc3)c12
InChIInChI=1S/C34H23ClN4O3/c1-21-27-28(31(40)23-13-7-3-8-14-23)29(32(41)34(42)36-25-19-17-24(35)18-20-25)30(22-11-5-2-6-12-22)37-33(27)39(38-21)26-15-9-4-10-16-26/h2-20H,1H3,(H,36,42)
InChIKeyOLXSCIPPAGGVPT-UHFFFAOYSA-N
XLogP7.10
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.04
LogP ≤ 57.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

methyl 6-(4-bromophenyl)-3-methyl-5-[2-(4-methylanilino)-2-oxoacetyl]-1-phenylpyrazolo[3,4-b]pyridine-4-carboxylate
CID 132571324
N-(4-chlorophenyl)-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 23602910
N-(4-chlorophenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]acetamide
CID 86804923
4-[(4-chlorobenzoyl)amino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)benzamide
CID 21369168
N-benzyl-4-(4-chlorophenyl)-6-methyl-1,3-diphenylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 101462732
5-amino-N-[4-[[5-amino-3-(4-chlorophenyl)-1-phenylpyrazole-4-carbonyl]amino]phenyl]-3-(4-chlorophenyl)-1-phenylpyrazole-4-carboxamide
CID 139225071
N-[4-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetyl]amino]phenyl]cyclopropanecarboxamide
CID 26059043
3,6-dimethyl-N-(4-methylphenyl)-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20927948
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide
CID 55464576
methyl 4-chloro-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylate
CID 126743206
N-(4-chlorophenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]propanamide
CID 24628215
N-(4-chlorophenyl)-1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 50745529

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoyl-3-methyl-1,6-diphenylpyrazolo[3,4-b]pyridin-5-yl)-N-(4-chlorophenyl)-2-oxoacetamide?
The IUPAC name of 2-(4-benzoyl-3-methyl-1,6-diphenylpyrazolo[3,4-b]pyridin-5-yl)-N-(4-chlorophenyl)-2-oxoacetamide (CID 132571321) is 2-(4-benzoyl-3-methyl-1,6-diphenylpyrazolo[3,4-b]pyridin-5-yl)-N-(4-chlorophenyl)-2-oxoacetamide.
What is the SMILES notation for 2-(4-benzoyl-3-methyl-1,6-diphenylpyrazolo[3,4-b]pyridin-5-yl)-N-(4-chlorophenyl)-2-oxoacetamide?
The canonical SMILES for 2-(4-benzoyl-3-methyl-1,6-diphenylpyrazolo[3,4-b]pyridin-5-yl)-N-(4-chlorophenyl)-2-oxoacetamide is Cc1nn(-c2ccccc2)c2nc(-c3ccccc3)c(C(=O)C(=O)Nc3ccc(Cl)cc3)c(C(=O)c3ccccc3)c12.
What is the InChIKey of 2-(4-benzoyl-3-methyl-1,6-diphenylpyrazolo[3,4-b]pyridin-5-yl)-N-(4-chlorophenyl)-2-oxoacetamide?
The InChIKey is OLXSCIPPAGGVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H23ClN4O3/c1-21-27-28(31(40)23-13-7-3-8-14-23)29(32(41)34(42)36-25-19-17-24(35)18-20-25)30(22-11-5-2-6-12-22)37-33(27)39(38-21)26-15-9-4-10-16-26/h2-20H,1H3,(H,36,42).
What are the key properties of 2-(4-benzoyl-3-methyl-1,6-diphenylpyrazolo[3,4-b]pyridin-5-yl)-N-(4-chlorophenyl)-2-oxoacetamide?
2-(4-benzoyl-3-methyl-1,6-diphenylpyrazolo[3,4-b]pyridin-5-yl)-N-(4-chlorophenyl)-2-oxoacetamide has a molecular weight of 571.04 g/mol, XLogP of 7.10, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoyl-3-methyl-1,6-diphenylpyrazolo[3,4-b]pyridin-5-yl)-N-(4-chlorophenyl)-2-oxoacetamide is sourced from PubChem (CID 132571321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).