3,6-dimethyl-N-(4-methylphenyl)-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide

C22H20N4O — CID 20927948

IUPAC3,6-dimethyl-N-(4-methylphenyl)-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(C)nc3c2c(C)nn3-c2ccccc2)cc1
InChIInChI=1S/C22H20N4O/c1-14-9-11-17(12-10-14)24-22(27)19-13-15(2)23-21-20(19)16(3)25-26(21)18-7-5-4-6-8-18/h4-13H,1-3H3,(H,24,27)
InChIKeyZEGVIWRMOMABSU-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.60
Rot. Bonds3

About 3,6-dimethyl-N-(4-methylphenyl)-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide

3,6-dimethyl-N-(4-methylphenyl)-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 20927948) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is 3,6-dimethyl-N-(4-methylphenyl)-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name3,6-dimethyl-N-(4-methylphenyl)-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID20927948
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC Name3,6-dimethyl-N-(4-methylphenyl)-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(C)nc3c2c(C)nn3-c2ccccc2)cc1
InChIInChI=1S/C22H20N4O/c1-14-9-11-17(12-10-14)24-22(27)19-13-15(2)23-21-20(19)16(3)25-26(21)18-7-5-4-6-8-18/h4-13H,1-3H3,(H,24,27)
InChIKeyZEGVIWRMOMABSU-UHFFFAOYSA-N
XLogP4.60
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
N-[4-(1H-benzimidazol-2-yl)phenyl]-3,6-dimethyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 20901411
N-(2-methoxy-5-methylphenyl)-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20927945
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
1-(4-fluorophenyl)-3,6-dimethyl-N-(3-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 44823192
3,6-dimethyl-1-(4-methylphenyl)-N-[(2R)-2-phenylpropyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 92687692
3,6-dimethyl-1-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 44822880
N-(2,2-difluoroethyl)-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 17026180
N-(3,4-dimethylphenyl)-1-(4-methoxyphenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 44823026
N-(3,4-dimethylphenyl)-1-(4-ethylphenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20928136

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-N-(4-methylphenyl)-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of 3,6-dimethyl-N-(4-methylphenyl)-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide (CID 20927948) is 3,6-dimethyl-N-(4-methylphenyl)-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 3,6-dimethyl-N-(4-methylphenyl)-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for 3,6-dimethyl-N-(4-methylphenyl)-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide is Cc1ccc(NC(=O)c2cc(C)nc3c2c(C)nn3-c2ccccc2)cc1.
What is the InChIKey of 3,6-dimethyl-N-(4-methylphenyl)-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is ZEGVIWRMOMABSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O/c1-14-9-11-17(12-10-14)24-22(27)19-13-15(2)23-21-20(19)16(3)25-26(21)18-7-5-4-6-8-18/h4-13H,1-3H3,(H,24,27).
What are the key properties of 3,6-dimethyl-N-(4-methylphenyl)-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide?
3,6-dimethyl-N-(4-methylphenyl)-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-N-(4-methylphenyl)-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 20927948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).