3-methyl-1-(4-methylphenyl)-N-methylsulfonyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide

C22H20N4O3S — CID 146154556

IUPAC3-methyl-1-(4-methylphenyl)-N-methylsulfonyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1ccc(-n2nc(C)c3c(C(=O)NS(C)(=O)=O)cc(-c4ccccc4)nc32)cc1
InChIInChI=1S/C22H20N4O3S/c1-14-9-11-17(12-10-14)26-21-20(15(2)24-26)18(22(27)25-30(3,28)29)13-19(23-21)16-7-5-4-6-8-16/h4-13H,1-3H3,(H,25,27)
InChIKeyOXOHGTOGBWQAKD-UHFFFAOYSA-N
MW420.49 g/mol
LogP3.39
Rot. Bonds4

About 3-methyl-1-(4-methylphenyl)-N-methylsulfonyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide

3-methyl-1-(4-methylphenyl)-N-methylsulfonyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 146154556) has the molecular formula C22H20N4O3S and a molecular weight of 420.49 g/mol. Its IUPAC name is 3-methyl-1-(4-methylphenyl)-N-methylsulfonyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-methyl-1-(4-methylphenyl)-N-methylsulfonyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID146154556
Molecular FormulaC22H20N4O3S
Molecular Weight420.49 g/mol
Exact Mass420.13
IUPAC Name3-methyl-1-(4-methylphenyl)-N-methylsulfonyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1ccc(-n2nc(C)c3c(C(=O)NS(C)(=O)=O)cc(-c4ccccc4)nc32)cc1
InChIInChI=1S/C22H20N4O3S/c1-14-9-11-17(12-10-14)26-21-20(15(2)24-26)18(22(27)25-30(3,28)29)13-19(23-21)16-7-5-4-6-8-16/h4-13H,1-3H3,(H,25,27)
InChIKeyOXOHGTOGBWQAKD-UHFFFAOYSA-N
XLogP3.39
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-1-(4-methylphenyl)-6-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 2551666
3-methyl-1-(4-methylphenyl)-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 2414322
3-methyl-1-(3-methylphenyl)-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 2487436
3-methyl-1-phenyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 25247551
3,6-dimethyl-N-(4-methylphenyl)-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20927948
[2-(4-methylphenyl)-2-oxoethyl] 6-(4-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 23879160
6-[4-(difluoromethoxy)phenyl]-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 25247574
[2-oxo-2-(4-phenylphenyl)ethyl] 6-(4-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 23937902
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 3-methyl-1,6-diphenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 2096325
3,6-dimethyl-1-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 44822880
3,6-dimethyl-1-(4-methylphenyl)-N-[(2R)-2-phenylpropyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 92687692
3-methyl-1-(4-methylphenyl)-N-methylsulfonylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 146154538

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(4-methylphenyl)-N-methylsulfonyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 3-methyl-1-(4-methylphenyl)-N-methylsulfonyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 146154556) is 3-methyl-1-(4-methylphenyl)-N-methylsulfonyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 3-methyl-1-(4-methylphenyl)-N-methylsulfonyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 3-methyl-1-(4-methylphenyl)-N-methylsulfonyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1ccc(-n2nc(C)c3c(C(=O)NS(C)(=O)=O)cc(-c4ccccc4)nc32)cc1.
What is the InChIKey of 3-methyl-1-(4-methylphenyl)-N-methylsulfonyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is OXOHGTOGBWQAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3S/c1-14-9-11-17(12-10-14)26-21-20(15(2)24-26)18(22(27)25-30(3,28)29)13-19(23-21)16-7-5-4-6-8-16/h4-13H,1-3H3,(H,25,27).
What are the key properties of 3-methyl-1-(4-methylphenyl)-N-methylsulfonyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
3-methyl-1-(4-methylphenyl)-N-methylsulfonyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 420.49 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(4-methylphenyl)-N-methylsulfonyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 146154556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).