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

C22H20N4O2 — CID 20927920

IUPACN-(4-methoxyphenyl)-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(C)nc3c2c(C)nn3-c2ccccc2)cc1
InChIInChI=1S/C22H20N4O2/c1-14-13-19(22(27)24-16-9-11-18(28-3)12-10-16)20-15(2)25-26(21(20)23-14)17-7-5-4-6-8-17/h4-13H,1-3H3,(H,24,27)
InChIKeyZJTHCKMRIJWQME-UHFFFAOYSA-N
MW372.43 g/mol
LogP4.30
Rot. Bonds4

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

N-(4-methoxyphenyl)-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 20927920) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID20927920
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC NameN-(4-methoxyphenyl)-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(C)nc3c2c(C)nn3-c2ccccc2)cc1
InChIInChI=1S/C22H20N4O2/c1-14-13-19(22(27)24-16-9-11-18(28-3)12-10-16)20-15(2)25-26(21(20)23-14)17-7-5-4-6-8-17/h4-13H,1-3H3,(H,24,27)
InChIKeyZJTHCKMRIJWQME-UHFFFAOYSA-N
XLogP4.30
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 54.30
H-Bond Donors ≤ 51
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-bromophenyl)-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20863859
N-(3,4-dimethylphenyl)-1-(4-methoxyphenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 44823026
N-(2-methoxy-5-methylphenyl)-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20927945
N-[(1S)-1-(3-methoxyphenyl)ethyl]-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 51851727
N-(2,4-dimethoxyphenyl)-3,6-dimethyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 20928182
N-(3-chloro-4-methoxyphenyl)-3,6-dimethyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 20928218
N-(2,4-dimethoxyphenyl)-1-(4-ethylphenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20928116
3,6-dimethyl-1-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 44822880
1-(4-ethylphenyl)-N-[(4-methoxyphenyl)methyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20928125
N-[4-(1H-benzimidazol-2-yl)phenyl]-3,6-dimethyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 20901411
N-(2,2-difluoroethyl)-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 17026180

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide (CID 20927920) is N-(4-methoxyphenyl)-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide is COc1ccc(NC(=O)c2cc(C)nc3c2c(C)nn3-c2ccccc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is ZJTHCKMRIJWQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-14-13-19(22(27)24-16-9-11-18(28-3)12-10-16)20-15(2)25-26(21(20)23-14)17-7-5-4-6-8-17/h4-13H,1-3H3,(H,24,27).
What are the key properties of N-(4-methoxyphenyl)-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide?
N-(4-methoxyphenyl)-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 20927920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).