1,6-dimethyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide

C23H23N5O4S — CID 39005516

IUPAC1,6-dimethyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cccc(NS(=O)(=O)c2cc(NC(=O)c3cc(C)nc4c3c(=O)[nH]n4C)ccc2C)c1
InChIInChI=1S/C23H23N5O4S/c1-13-6-5-7-17(10-13)27-33(31,32)19-12-16(9-8-14(19)2)25-22(29)18-11-15(3)24-21-20(18)23(30)26-28(21)4/h5-12,27H,1-4H3,(H,25,29)(H,26,30)
InChIKeyWNXIMYIPZTTWJV-UHFFFAOYSA-N
MW465.54 g/mol
LogP3.24
Rot. Bonds5

About 1,6-dimethyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide

1,6-dimethyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 39005516) has the molecular formula C23H23N5O4S and a molecular weight of 465.54 g/mol. Its IUPAC name is 1,6-dimethyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name1,6-dimethyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID39005516
Molecular FormulaC23H23N5O4S
Molecular Weight465.54 g/mol
Exact Mass465.15
IUPAC Name1,6-dimethyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cccc(NS(=O)(=O)c2cc(NC(=O)c3cc(C)nc4c3c(=O)[nH]n4C)ccc2C)c1
InChIInChI=1S/C23H23N5O4S/c1-13-6-5-7-17(10-13)27-33(31,32)19-12-16(9-8-14(19)2)25-22(29)18-11-15(3)24-21-20(18)23(30)26-28(21)4/h5-12,27H,1-4H3,(H,25,29)(H,26,30)
InChIKeyWNXIMYIPZTTWJV-UHFFFAOYSA-N
XLogP3.24
TPSA125.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.54
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 39005047
2,5-difluoro-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]benzamide
CID 30489963
1,6-dimethyl-3-oxo-N-(4-pentylphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 39929190
N-[4-(2-methoxyphenoxy)phenyl]-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 39006868
2,5-dimethyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-1-pyridin-3-ylpyrrole-3-carboxamide
CID 39908206
4-acetyl-3,5-dimethyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-1H-pyrrole-2-carboxamide
CID 35865008
N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 46799199
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 32599687
(2R)-2-methyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]butanamide
CID 35678664
2-methyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]butanamide
CID 42940924
4-methyl-N-(3-methylphenyl)-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 3443148
N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-2-methylbenzamide
CID 26774127

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of 1,6-dimethyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide (CID 39005516) is 1,6-dimethyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 1,6-dimethyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for 1,6-dimethyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide is Cc1cccc(NS(=O)(=O)c2cc(NC(=O)c3cc(C)nc4c3c(=O)[nH]n4C)ccc2C)c1.
What is the InChIKey of 1,6-dimethyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is WNXIMYIPZTTWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O4S/c1-13-6-5-7-17(10-13)27-33(31,32)19-12-16(9-8-14(19)2)25-22(29)18-11-15(3)24-21-20(18)23(30)26-28(21)4/h5-12,27H,1-4H3,(H,25,29)(H,26,30).
What are the key properties of 1,6-dimethyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
1,6-dimethyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 465.54 g/mol, XLogP of 3.24, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 39005516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).