1-(3-chloro-4-methylphenyl)-4-(4-methoxyphenyl)-3-methyl-N-methylsulfonylpyrazolo[5,4-b]pyridine-6-carboxamide

C23H21ClN4O4S — CID 126741829

IUPAC1-(3-chloro-4-methylphenyl)-4-(4-methoxyphenyl)-3-methyl-N-methylsulfonylpyrazolo[5,4-b]pyridine-6-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NS(C)(=O)=O)nc3c2c(C)nn3-c2ccc(C)c(Cl)c2)cc1
InChIInChI=1S/C23H21ClN4O4S/c1-13-5-8-16(11-19(13)24)28-22-21(14(2)26-28)18(15-6-9-17(32-3)10-7-15)12-20(25-22)23(29)27-33(4,30)31/h5-12H,1-4H3,(H,27,29)
InChIKeyDMZIWICPYLVRKB-UHFFFAOYSA-N
MW484.97 g/mol
LogP4.06
Rot. Bonds5

About 1-(3-chloro-4-methylphenyl)-4-(4-methoxyphenyl)-3-methyl-N-methylsulfonylpyrazolo[5,4-b]pyridine-6-carboxamide

1-(3-chloro-4-methylphenyl)-4-(4-methoxyphenyl)-3-methyl-N-methylsulfonylpyrazolo[5,4-b]pyridine-6-carboxamide (PubChem CID 126741829) has the molecular formula C23H21ClN4O4S and a molecular weight of 484.97 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-4-(4-methoxyphenyl)-3-methyl-N-methylsulfonylpyrazolo[5,4-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-4-(4-methoxyphenyl)-3-methyl-N-methylsulfonylpyrazolo[5,4-b]pyridine-6-carboxamide
PubChem CID126741829
Molecular FormulaC23H21ClN4O4S
Molecular Weight484.97 g/mol
Exact Mass484.10
IUPAC Name1-(3-chloro-4-methylphenyl)-4-(4-methoxyphenyl)-3-methyl-N-methylsulfonylpyrazolo[5,4-b]pyridine-6-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NS(C)(=O)=O)nc3c2c(C)nn3-c2ccc(C)c(Cl)c2)cc1
InChIInChI=1S/C23H21ClN4O4S/c1-13-5-8-16(11-19(13)24)28-22-21(14(2)26-28)18(15-6-9-17(32-3)10-7-15)12-20(25-22)23(29)27-33(4,30)31/h5-12H,1-4H3,(H,27,29)
InChIKeyDMZIWICPYLVRKB-UHFFFAOYSA-N
XLogP4.06
TPSA103.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.97
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-ethylsulfonyl-1-(3-methoxyphenyl)-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxamide
CID 126742646
N-methylsulfonyl-4-(4-morpholin-4-ylphenyl)-3-propan-2-yl-1-[3-(trifluoromethoxy)phenyl]pyrazolo[5,4-b]pyridine-6-carboxamide
CID 126742730
1-(3-chloro-4-methylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridine
CID 17308035
3-methyl-1-(4-methylphenyl)-N-methylsulfonyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 146154556
1-cyclohexyl-4-(4-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126743142
1-cyclohexyl-N-cyclopropylsulfonyl-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxamide
CID 126742748
methyl 4-chloro-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylate
CID 126743206
N-(3,4-dimethylphenyl)-1-(4-methoxyphenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 44823026
4-[4-(4-acetylpiperazin-1-yl)phenyl]-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126743323
1-(3,4-dimethylphenyl)-3,4-dimethyl-N-[(4-methylphenyl)methyl]pyrazolo[5,4-b]pyridine-6-carboxamide
CID 20855322
4-[4-[methyl(oxan-4-yl)amino]phenyl]-N-methylsulfonyl-3-propan-2-yl-1-(3-pyrrolidin-1-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxamide
CID 126742424
N-[2-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)-6-methyl-5-oxopyridazin-3-yl]-4-methoxybenzamide
CID 2035296

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-4-(4-methoxyphenyl)-3-methyl-N-methylsulfonylpyrazolo[5,4-b]pyridine-6-carboxamide?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-4-(4-methoxyphenyl)-3-methyl-N-methylsulfonylpyrazolo[5,4-b]pyridine-6-carboxamide (CID 126741829) is 1-(3-chloro-4-methylphenyl)-4-(4-methoxyphenyl)-3-methyl-N-methylsulfonylpyrazolo[5,4-b]pyridine-6-carboxamide.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-4-(4-methoxyphenyl)-3-methyl-N-methylsulfonylpyrazolo[5,4-b]pyridine-6-carboxamide?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-4-(4-methoxyphenyl)-3-methyl-N-methylsulfonylpyrazolo[5,4-b]pyridine-6-carboxamide is COc1ccc(-c2cc(C(=O)NS(C)(=O)=O)nc3c2c(C)nn3-c2ccc(C)c(Cl)c2)cc1.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-4-(4-methoxyphenyl)-3-methyl-N-methylsulfonylpyrazolo[5,4-b]pyridine-6-carboxamide?
The InChIKey is DMZIWICPYLVRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O4S/c1-13-5-8-16(11-19(13)24)28-22-21(14(2)26-28)18(15-6-9-17(32-3)10-7-15)12-20(25-22)23(29)27-33(4,30)31/h5-12H,1-4H3,(H,27,29).
What are the key properties of 1-(3-chloro-4-methylphenyl)-4-(4-methoxyphenyl)-3-methyl-N-methylsulfonylpyrazolo[5,4-b]pyridine-6-carboxamide?
1-(3-chloro-4-methylphenyl)-4-(4-methoxyphenyl)-3-methyl-N-methylsulfonylpyrazolo[5,4-b]pyridine-6-carboxamide has a molecular weight of 484.97 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-4-(4-methoxyphenyl)-3-methyl-N-methylsulfonylpyrazolo[5,4-b]pyridine-6-carboxamide is sourced from PubChem (CID 126741829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).