N-benzyl-4-(4-chlorophenyl)-6-methyl-1,3-diphenylpyrazolo[3,4-b]pyridine-5-carboxamide

C33H25ClN4O — CID 101462732

IUPACN-benzyl-4-(4-chlorophenyl)-6-methyl-1,3-diphenylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1nc2c(c(-c3ccccc3)nn2-c2ccccc2)c(-c2ccc(Cl)cc2)c1C(=O)NCc1ccccc1
InChIInChI=1S/C33H25ClN4O/c1-22-28(33(39)35-21-23-11-5-2-6-12-23)29(24-17-19-26(34)20-18-24)30-31(25-13-7-3-8-14-25)37-38(32(30)36-22)27-15-9-4-10-16-27/h2-20H,21H2,1H3,(H,35,39)
InChIKeyIXWTXPOGVKYZDD-UHFFFAOYSA-N
MW529.04 g/mol
LogP7.65
Rot. Bonds6

About N-benzyl-4-(4-chlorophenyl)-6-methyl-1,3-diphenylpyrazolo[3,4-b]pyridine-5-carboxamide

N-benzyl-4-(4-chlorophenyl)-6-methyl-1,3-diphenylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 101462732) has the molecular formula C33H25ClN4O and a molecular weight of 529.04 g/mol. Its IUPAC name is N-benzyl-4-(4-chlorophenyl)-6-methyl-1,3-diphenylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-(4-chlorophenyl)-6-methyl-1,3-diphenylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID101462732
Molecular FormulaC33H25ClN4O
Molecular Weight529.04 g/mol
Exact Mass528.17
IUPAC NameN-benzyl-4-(4-chlorophenyl)-6-methyl-1,3-diphenylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1nc2c(c(-c3ccccc3)nn2-c2ccccc2)c(-c2ccc(Cl)cc2)c1C(=O)NCc1ccccc1
InChIInChI=1S/C33H25ClN4O/c1-22-28(33(39)35-21-23-11-5-2-6-12-23)29(24-17-19-26(34)20-18-24)30-31(25-13-7-3-8-14-25)37-38(32(30)36-22)27-15-9-4-10-16-27/h2-20H,21H2,1H3,(H,35,39)
InChIKeyIXWTXPOGVKYZDD-UHFFFAOYSA-N
XLogP7.65
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.04
LogP ≤ 57.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-(4-methyl-1,3-diphenylpyrazolo[5,4-b]pyridin-6-yl)oxyacetamide
CID 50799160
5-chloro-4,6-dimethyl-1,3-diphenylpyrazolo[3,4-b]pyridine
CID 1480891
N-benzyl-3-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20892655
N-benzyl-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 1340356
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide
CID 19473347
methyl 4-[[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]methyl]benzoate
CID 46601601
3-methyl-N-[(4-methylphenyl)methyl]-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20892672
N,1-dibenzyl-3-(4-methoxyphenyl)pyrazole-4-carboxamide
CID 27843936
N-[(4-methoxyphenyl)methyl]-2-(4-methyl-1,3-diphenylpyrazolo[5,4-b]pyridin-6-yl)oxyacetamide
CID 50799254
N-benzyl-2-[4-methyl-3-(3-methylphenyl)-1-phenylpyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
CID 50790091
5-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-diphenylpyrazole-4-carboxamide
CID 19473385
2-(4-benzoyl-3-methyl-1,6-diphenylpyrazolo[3,4-b]pyridin-5-yl)-N-(4-chlorophenyl)-2-oxoacetamide
CID 132571321

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(4-chlorophenyl)-6-methyl-1,3-diphenylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of N-benzyl-4-(4-chlorophenyl)-6-methyl-1,3-diphenylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 101462732) is N-benzyl-4-(4-chlorophenyl)-6-methyl-1,3-diphenylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-benzyl-4-(4-chlorophenyl)-6-methyl-1,3-diphenylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-benzyl-4-(4-chlorophenyl)-6-methyl-1,3-diphenylpyrazolo[3,4-b]pyridine-5-carboxamide is Cc1nc2c(c(-c3ccccc3)nn2-c2ccccc2)c(-c2ccc(Cl)cc2)c1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-4-(4-chlorophenyl)-6-methyl-1,3-diphenylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is IXWTXPOGVKYZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25ClN4O/c1-22-28(33(39)35-21-23-11-5-2-6-12-23)29(24-17-19-26(34)20-18-24)30-31(25-13-7-3-8-14-25)37-38(32(30)36-22)27-15-9-4-10-16-27/h2-20H,21H2,1H3,(H,35,39).
What are the key properties of N-benzyl-4-(4-chlorophenyl)-6-methyl-1,3-diphenylpyrazolo[3,4-b]pyridine-5-carboxamide?
N-benzyl-4-(4-chlorophenyl)-6-methyl-1,3-diphenylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 529.04 g/mol, XLogP of 7.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(4-chlorophenyl)-6-methyl-1,3-diphenylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 101462732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).