1-(2-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide

C24H23ClN4O3 — CID 20863949

IUPAC1-(2-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCOc1ccc(OC)c(CNC(=O)c2cc(C)nc3c2c(C)nn3-c2ccccc2Cl)c1
InChIInChI=1S/C24H23ClN4O3/c1-14-11-18(24(30)26-13-16-12-17(31-3)9-10-21(16)32-4)22-15(2)28-29(23(22)27-14)20-8-6-5-7-19(20)25/h5-12H,13H2,1-4H3,(H,26,30)
InChIKeyNCNKHXITODWRNT-UHFFFAOYSA-N
MW450.93 g/mol
LogP4.64
Rot. Bonds6

About 1-(2-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide

1-(2-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 20863949) has the molecular formula C24H23ClN4O3 and a molecular weight of 450.93 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID20863949
Molecular FormulaC24H23ClN4O3
Molecular Weight450.93 g/mol
Exact Mass450.15
IUPAC Name1-(2-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCOc1ccc(OC)c(CNC(=O)c2cc(C)nc3c2c(C)nn3-c2ccccc2Cl)c1
InChIInChI=1S/C24H23ClN4O3/c1-14-11-18(24(30)26-13-16-12-17(31-3)9-10-21(16)32-4)22-15(2)28-29(23(22)27-14)20-8-6-5-7-19(20)25/h5-12H,13H2,1-4H3,(H,26,30)
InChIKeyNCNKHXITODWRNT-UHFFFAOYSA-N
XLogP4.64
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.93
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-chloro-2-methylphenyl)-N-[(2-ethoxyphenyl)methyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20928020
1-(3-chloro-2-methylphenyl)-N-(3,4-dimethoxyphenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20927965
1-(2-chlorophenyl)-3,6-dimethyl-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 20863946
[1-(2-chlorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridin-4-yl]-pyrrolidin-1-ylmethanone
CID 20863971
1-(2-chlorophenyl)-N-(4-fluorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20863988
[1-(2-chlorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridin-4-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 20863968
1-(4-ethylphenyl)-N-[(4-methoxyphenyl)methyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20928125
1-(2-chlorophenyl)-3,6-dimethyl-N-[(2S)-4-phenylbutan-2-yl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 92665267
N-[(2-ethoxyphenyl)methyl]-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20927951
1-(3-chloro-2-methylphenyl)-3,6-dimethyl-N-[(2S)-2-phenylpropyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 92692683
N-[2-(4-benzylpiperidin-1-yl)ethyl]-1-(2-chlorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20863964
N-(4-methoxyphenyl)-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20927920

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide (CID 20863949) is 1-(2-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide is COc1ccc(OC)c(CNC(=O)c2cc(C)nc3c2c(C)nn3-c2ccccc2Cl)c1.
What is the InChIKey of 1-(2-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is NCNKHXITODWRNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O3/c1-14-11-18(24(30)26-13-16-12-17(31-3)9-10-21(16)32-4)22-15(2)28-29(23(22)27-14)20-8-6-5-7-19(20)25/h5-12H,13H2,1-4H3,(H,26,30).
What are the key properties of 1-(2-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
1-(2-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 450.93 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 20863949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).