N-[4-(1H-benzimidazol-2-yl)phenyl]-3,6-dimethyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide

C29H24N6O — CID 20901411

IUPACN-[4-(1H-benzimidazol-2-yl)phenyl]-3,6-dimethyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1ccc(-n2nc(C)c3c(C(=O)Nc4ccc(-c5nc6ccccc6[nH]5)cc4)cc(C)nc32)cc1
InChIInChI=1S/C29H24N6O/c1-17-8-14-22(15-9-17)35-28-26(19(3)34-35)23(16-18(2)30-28)29(36)31-21-12-10-20(11-13-21)27-32-24-6-4-5-7-25(24)33-27/h4-16H,1-3H3,(H,31,36)(H,32,33)
InChIKeyUOPCXQKFRKVCKS-UHFFFAOYSA-N
MW472.55 g/mol
LogP6.14
Rot. Bonds4

About N-[4-(1H-benzimidazol-2-yl)phenyl]-3,6-dimethyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide

N-[4-(1H-benzimidazol-2-yl)phenyl]-3,6-dimethyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 20901411) has the molecular formula C29H24N6O and a molecular weight of 472.55 g/mol. Its IUPAC name is N-[4-(1H-benzimidazol-2-yl)phenyl]-3,6-dimethyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(1H-benzimidazol-2-yl)phenyl]-3,6-dimethyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID20901411
Molecular FormulaC29H24N6O
Molecular Weight472.55 g/mol
Exact Mass472.20
IUPAC NameN-[4-(1H-benzimidazol-2-yl)phenyl]-3,6-dimethyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1ccc(-n2nc(C)c3c(C(=O)Nc4ccc(-c5nc6ccccc6[nH]5)cc4)cc(C)nc32)cc1
InChIInChI=1S/C29H24N6O/c1-17-8-14-22(15-9-17)35-28-26(19(3)34-35)23(16-18(2)30-28)29(36)31-21-12-10-20(11-13-21)27-32-24-6-4-5-7-25(24)33-27/h4-16H,1-3H3,(H,31,36)(H,32,33)
InChIKeyUOPCXQKFRKVCKS-UHFFFAOYSA-N
XLogP6.14
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.55
LogP ≤ 56.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,6-dimethyl-N-(4-methylphenyl)-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20927948
N-[4-(1H-benzimidazol-2-yl)phenyl]-3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanamide
CID 20863662
N-(4-bromophenyl)-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20863859
N-(4-methoxyphenyl)-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20927920
1-(4-fluorophenyl)-3,6-dimethyl-N-(3-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 44823192
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-dimethyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 20928208
N-(3-chloro-4-methoxyphenyl)-3,6-dimethyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 20928218
N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 55863776
3-methyl-1-(4-methylphenyl)-6-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 2551666
N-(3,4-dimethylphenyl)-1-(4-methoxyphenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 44823026
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 34050635
1-(2-chlorophenyl)-N-(4-fluorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20863988

Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-3,6-dimethyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-3,6-dimethyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide (CID 20901411) is N-[4-(1H-benzimidazol-2-yl)phenyl]-3,6-dimethyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-(1H-benzimidazol-2-yl)phenyl]-3,6-dimethyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[4-(1H-benzimidazol-2-yl)phenyl]-3,6-dimethyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide is Cc1ccc(-n2nc(C)c3c(C(=O)Nc4ccc(-c5nc6ccccc6[nH]5)cc4)cc(C)nc32)cc1.
What is the InChIKey of N-[4-(1H-benzimidazol-2-yl)phenyl]-3,6-dimethyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is UOPCXQKFRKVCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N6O/c1-17-8-14-22(15-9-17)35-28-26(19(3)34-35)23(16-18(2)30-28)29(36)31-21-12-10-20(11-13-21)27-32-24-6-4-5-7-25(24)33-27/h4-16H,1-3H3,(H,31,36)(H,32,33).
What are the key properties of N-[4-(1H-benzimidazol-2-yl)phenyl]-3,6-dimethyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide?
N-[4-(1H-benzimidazol-2-yl)phenyl]-3,6-dimethyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 472.55 g/mol, XLogP of 6.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-benzimidazol-2-yl)phenyl]-3,6-dimethyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 20901411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).