6-(2-methylphenyl)-1-propan-2-yl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazolo[5,4-b]pyridine-4-carboxamide

C25H27N5O3S — CID 55485870

IUPAC6-(2-methylphenyl)-1-propan-2-yl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1ccccc1-c1cc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c2cnn(C(C)C)c2n1
InChIInChI=1S/C25H27N5O3S/c1-16(2)30-24-22(15-28-30)21(14-23(29-24)20-7-5-4-6-17(20)3)25(31)27-13-12-18-8-10-19(11-9-18)34(26,32)33/h4-11,14-16H,12-13H2,1-3H3,(H,27,31)(H2,26,32,33)
InChIKeyJYGCTQJCGJBBLU-UHFFFAOYSA-N
MW477.59 g/mol
LogP3.61
Rot. Bonds7

About 6-(2-methylphenyl)-1-propan-2-yl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazolo[5,4-b]pyridine-4-carboxamide

6-(2-methylphenyl)-1-propan-2-yl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55485870) has the molecular formula C25H27N5O3S and a molecular weight of 477.59 g/mol. Its IUPAC name is 6-(2-methylphenyl)-1-propan-2-yl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(2-methylphenyl)-1-propan-2-yl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID55485870
Molecular FormulaC25H27N5O3S
Molecular Weight477.59 g/mol
Exact Mass477.18
IUPAC Name6-(2-methylphenyl)-1-propan-2-yl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1ccccc1-c1cc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c2cnn(C(C)C)c2n1
InChIInChI=1S/C25H27N5O3S/c1-16(2)30-24-22(15-28-30)21(14-23(29-24)20-7-5-4-6-17(20)3)25(31)27-13-12-18-8-10-19(11-9-18)34(26,32)33/h4-11,14-16H,12-13H2,1-3H3,(H,27,31)(H2,26,32,33)
InChIKeyJYGCTQJCGJBBLU-UHFFFAOYSA-N
XLogP3.61
TPSA119.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.59
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methoxybutyl)-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55724574
N-(2-methyl-5-methylsulfonylphenyl)-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134011934
N-[4-(diethylamino)-4-oxobutyl]-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 60513563
N-[(2R)-2-(ethylamino)propyl]-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 120654233
6-(2-methylphenyl)-1-propan-2-yl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 55493577
N-[2-(benzenesulfonyl)ethyl]-6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55734280
4-[2-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]ethyl]benzoic acid
CID 120513011
N-[4-(diethylcarbamoyl)phenyl]-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46699731
6-(2-methylphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 17468697
6-(2-methylphenyl)-N-piperidin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
CID 119389505
N-(2-acetamido-4,5-difluorophenyl)-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 52846168
N-(3-aminobutyl)-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119497417

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylphenyl)-1-propan-2-yl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-(2-methylphenyl)-1-propan-2-yl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazolo[5,4-b]pyridine-4-carboxamide (CID 55485870) is 6-(2-methylphenyl)-1-propan-2-yl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-(2-methylphenyl)-1-propan-2-yl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-(2-methylphenyl)-1-propan-2-yl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazolo[5,4-b]pyridine-4-carboxamide is Cc1ccccc1-c1cc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c2cnn(C(C)C)c2n1.
What is the InChIKey of 6-(2-methylphenyl)-1-propan-2-yl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is JYGCTQJCGJBBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3S/c1-16(2)30-24-22(15-28-30)21(14-23(29-24)20-7-5-4-6-17(20)3)25(31)27-13-12-18-8-10-19(11-9-18)34(26,32)33/h4-11,14-16H,12-13H2,1-3H3,(H,27,31)(H2,26,32,33).
What are the key properties of 6-(2-methylphenyl)-1-propan-2-yl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
6-(2-methylphenyl)-1-propan-2-yl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 477.59 g/mol, XLogP of 3.61, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylphenyl)-1-propan-2-yl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55485870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).