N-[4-(1H-benzimidazol-2-yl)phenyl]-3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanamide

C32H30N6O — CID 20863662

IUPACN-[4-(1H-benzimidazol-2-yl)phenyl]-3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanamide
SMILESCc1ccc(-n2nc(C)c3c(C)c(CCC(=O)Nc4ccc(-c5nc6ccccc6[nH]5)cc4)c(C)nc32)cc1
InChIInChI=1S/C32H30N6O/c1-19-9-15-25(16-10-19)38-32-30(22(4)37-38)20(2)26(21(3)33-32)17-18-29(39)34-24-13-11-23(12-14-24)31-35-27-7-5-6-8-28(27)36-31/h5-16H,17-18H2,1-4H3,(H,34,39)(H,35,36)
InChIKeyCOFFIUHFFJIIQG-UHFFFAOYSA-N
MW514.63 g/mol
LogP6.77
Rot. Bonds6

About N-[4-(1H-benzimidazol-2-yl)phenyl]-3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanamide

N-[4-(1H-benzimidazol-2-yl)phenyl]-3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanamide (PubChem CID 20863662) has the molecular formula C32H30N6O and a molecular weight of 514.63 g/mol. Its IUPAC name is N-[4-(1H-benzimidazol-2-yl)phenyl]-3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanamide.

Molecular Properties

Compound NameN-[4-(1H-benzimidazol-2-yl)phenyl]-3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanamide
PubChem CID20863662
Molecular FormulaC32H30N6O
Molecular Weight514.63 g/mol
Exact Mass514.25
IUPAC NameN-[4-(1H-benzimidazol-2-yl)phenyl]-3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanamide
SMILESCc1ccc(-n2nc(C)c3c(C)c(CCC(=O)Nc4ccc(-c5nc6ccccc6[nH]5)cc4)c(C)nc32)cc1
InChIInChI=1S/C32H30N6O/c1-19-9-15-25(16-10-19)38-32-30(22(4)37-38)20(2)26(21(3)33-32)17-18-29(39)34-24-13-11-23(12-14-24)31-35-27-7-5-6-8-28(27)36-31/h5-16H,17-18H2,1-4H3,(H,34,39)(H,35,36)
InChIKeyCOFFIUHFFJIIQG-UHFFFAOYSA-N
XLogP6.77
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.63
LogP ≤ 56.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]-N-(4-methylphenyl)propanamide
CID 23603974
N-[4-(1H-benzimidazol-2-yl)phenyl]-3,6-dimethyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 20901411
N-(4-chlorophenyl)-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 23602910
N-(3-fluoro-4-methylphenyl)-3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanamide
CID 23603523
N-(4-methylphenyl)-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 23604260
3-(6-methoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-N-(4-methylphenyl)propanamide
CID 50796242
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 34050635
3-[6-ethoxy-3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]-N-phenylpropanamide
CID 50796208
N-[4-(1H-benzimidazol-2-yl)phenyl]-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 46650095
3-[6-ethoxy-3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]-N-(4-fluorophenyl)propanamide
CID 50796168
N-(3-methylbutyl)-3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanamide
CID 23603505
N-(3-chloro-4-methoxyphenyl)-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 23602953

Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanamide?
The IUPAC name of 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) is N-[4-(1H-benzimidazol-2-yl)phenyl]-3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanamide.
What is the SMILES notation for N-[4-(1H-benzimidazol-2-yl)phenyl]-3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanamide?
The canonical SMILES for N-[4-(1H-benzimidazol-2-yl)phenyl]-3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanamide is Cc1ccc(-n2nc(C)c3c(C)c(CCC(=O)Nc4ccc(-c5nc6ccccc6[nH]5)cc4)c(C)nc32)cc1.
What is the InChIKey of N-[4-(1H-benzimidazol-2-yl)phenyl]-3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanamide?
The InChIKey is COFFIUHFFJIIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N6O/c1-19-9-15-25(16-10-19)38-32-30(22(4)37-38)20(2)26(21(3)33-32)17-18-29(39)34-24-13-11-23(12-14-24)31-35-27-7-5-6-8-28(27)36-31/h5-16H,17-18H2,1-4H3,(H,34,39)(H,35,36).
What are the key properties of N-[4-(1H-benzimidazol-2-yl)phenyl]-3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanamide?
N-[4-(1H-benzimidazol-2-yl)phenyl]-3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanamide has a molecular weight of 514.63 g/mol, XLogP of 6.77, 6 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-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanamide is sourced from PubChem (CID 20863662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).