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

C24H19N5OS — CID 44822880

IUPAC3,6-dimethyl-1-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2nc(-c3ccccc3)cs2)c2c(C)nn(-c3ccccc3)c2n1
InChIInChI=1S/C24H19N5OS/c1-15-13-19(21-16(2)28-29(22(21)25-15)18-11-7-4-8-12-18)23(30)27-24-26-20(14-31-24)17-9-5-3-6-10-17/h3-14H,1-2H3,(H,26,27,30)
InChIKeyOCBHAVNAQMWOEI-UHFFFAOYSA-N
MW425.52 g/mol
LogP5.41
Rot. Bonds4

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

3,6-dimethyl-1-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)pyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 44822880) has the molecular formula C24H19N5OS and a molecular weight of 425.52 g/mol. Its IUPAC name is 3,6-dimethyl-1-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)pyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name3,6-dimethyl-1-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)pyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID44822880
Molecular FormulaC24H19N5OS
Molecular Weight425.52 g/mol
Exact Mass425.13
IUPAC Name3,6-dimethyl-1-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2nc(-c3ccccc3)cs2)c2c(C)nn(-c3ccccc3)c2n1
InChIInChI=1S/C24H19N5OS/c1-15-13-19(21-16(2)28-29(22(21)25-15)18-11-7-4-8-12-18)23(30)27-24-26-20(14-31-24)17-9-5-3-6-10-17/h3-14H,1-2H3,(H,26,27,30)
InChIKeyOCBHAVNAQMWOEI-UHFFFAOYSA-N
XLogP5.41
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.52
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,6-dimethyl-N-(4-methylphenyl)-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20927948
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-(2-methoxy-5-methylphenyl)-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20927945
2-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 576996
N-(2-ethylphenyl)-1-(4-ethylphenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20928119
3,6-dimethyl-1-phenyl-N-(4-phenylbutan-2-yl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 20863832
5,7-dimethyl-N-(4-phenyl-1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 26913407
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,3-diphenylpyrazole-4-carboxamide
CID 139226266
3,6-dimethyl-1-phenyl-N-(2-pyrazol-1-ylethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 19588387
N-[(1S)-1-(3-methoxyphenyl)ethyl]-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 51851727
N-[[4-[2-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)amino]-1,3-thiazol-4-yl]phenyl]methyl]acetamide
CID 108776302

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-1-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)pyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of 3,6-dimethyl-1-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)pyrazolo[3,4-b]pyridine-4-carboxamide (CID 44822880) is 3,6-dimethyl-1-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)pyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 3,6-dimethyl-1-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)pyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for 3,6-dimethyl-1-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)pyrazolo[3,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)Nc2nc(-c3ccccc3)cs2)c2c(C)nn(-c3ccccc3)c2n1.
What is the InChIKey of 3,6-dimethyl-1-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)pyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is OCBHAVNAQMWOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5OS/c1-15-13-19(21-16(2)28-29(22(21)25-15)18-11-7-4-8-12-18)23(30)27-24-26-20(14-31-24)17-9-5-3-6-10-17/h3-14H,1-2H3,(H,26,27,30).
What are the key properties of 3,6-dimethyl-1-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)pyrazolo[3,4-b]pyridine-4-carboxamide?
3,6-dimethyl-1-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)pyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 425.52 g/mol, XLogP of 5.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-1-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)pyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 44822880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).