1,3-dimethyl-N-(3-methylsulfonylphenyl)-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C19H22N4O3S — CID 33158849

IUPAC1,3-dimethyl-N-(3-methylsulfonylphenyl)-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(C(C)C)cc(C(=O)Nc3cccc(S(C)(=O)=O)c3)c12
InChIInChI=1S/C19H22N4O3S/c1-11(2)16-10-15(17-12(3)22-23(4)18(17)21-16)19(24)20-13-7-6-8-14(9-13)27(5,25)26/h6-11H,1-5H3,(H,20,24)
InChIKeyFCJPMIIYMQZNDF-UHFFFAOYSA-N
MW386.48 g/mol
LogP3.06
Rot. Bonds4

About 1,3-dimethyl-N-(3-methylsulfonylphenyl)-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

1,3-dimethyl-N-(3-methylsulfonylphenyl)-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 33158849) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is 1,3-dimethyl-N-(3-methylsulfonylphenyl)-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-N-(3-methylsulfonylphenyl)-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID33158849
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC Name1,3-dimethyl-N-(3-methylsulfonylphenyl)-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(C(C)C)cc(C(=O)Nc3cccc(S(C)(=O)=O)c3)c12
InChIInChI=1S/C19H22N4O3S/c1-11(2)16-10-15(17-12(3)22-23(4)18(17)21-16)19(24)20-13-7-6-8-14(9-13)27(5,25)26/h6-11H,1-5H3,(H,20,24)
InChIKeyFCJPMIIYMQZNDF-UHFFFAOYSA-N
XLogP3.06
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,3-dimethyl-6-propan-2-yl-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 25469310
1,3-dimethyl-6-propan-2-yl-N-[3-(trifluoromethoxy)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 38034962
N-(4-acetylphenyl)-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 32758884
1,3-dimethyl-N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 51949345
N-(1,3-benzodioxol-5-yl)-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 32686520
N-(3-chloro-2-fluorophenyl)-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 30386091
N-(2-tert-butylphenyl)-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 32951263
1,3,6-trimethyl-N-(3-piperidin-1-ylsulfonylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 16620957
N-(3-methylsulfonylphenyl)-2-propan-2-ylquinoline-4-carboxamide
CID 17445154
N-(2,4-difluorophenyl)-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 32738959
N-[3-(benzenesulfonamido)phenyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55721310
1,3-dimethyl-6-propan-2-yl-N-(1,3-thiazol-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 51338496

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-(3-methylsulfonylphenyl)-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 1,3-dimethyl-N-(3-methylsulfonylphenyl)-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 33158849) is 1,3-dimethyl-N-(3-methylsulfonylphenyl)-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 1,3-dimethyl-N-(3-methylsulfonylphenyl)-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 1,3-dimethyl-N-(3-methylsulfonylphenyl)-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(C)c2nc(C(C)C)cc(C(=O)Nc3cccc(S(C)(=O)=O)c3)c12.
What is the InChIKey of 1,3-dimethyl-N-(3-methylsulfonylphenyl)-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is FCJPMIIYMQZNDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-11(2)16-10-15(17-12(3)22-23(4)18(17)21-16)19(24)20-13-7-6-8-14(9-13)27(5,25)26/h6-11H,1-5H3,(H,20,24).
What are the key properties of 1,3-dimethyl-N-(3-methylsulfonylphenyl)-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
1,3-dimethyl-N-(3-methylsulfonylphenyl)-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 386.48 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(3-methylsulfonylphenyl)-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 33158849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).