N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide

C23H31N5O3S — CID 17486630

IUPACN-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(S(=O)(=O)N(C)C)cc(NC(=O)c2cc(C(C)C)nc3c2cnn3C(C)C)c1C
InChIInChI=1S/C23H31N5O3S/c1-13(2)20-11-18(19-12-24-28(14(3)4)22(19)25-20)23(29)26-21-10-17(9-15(5)16(21)6)32(30,31)27(7)8/h9-14H,1-8H3,(H,26,29)
InChIKeyKFQQPFCHQLOHOB-UHFFFAOYSA-N
MW457.60 g/mol
LogP4.26
Rot. Bonds6

About N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide

N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 17486630) has the molecular formula C23H31N5O3S and a molecular weight of 457.60 g/mol. Its IUPAC name is N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID17486630
Molecular FormulaC23H31N5O3S
Molecular Weight457.60 g/mol
Exact Mass457.21
IUPAC NameN-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(S(=O)(=O)N(C)C)cc(NC(=O)c2cc(C(C)C)nc3c2cnn3C(C)C)c1C
InChIInChI=1S/C23H31N5O3S/c1-13(2)20-11-18(19-12-24-28(14(3)4)22(19)25-20)23(29)26-21-10-17(9-15(5)16(21)6)32(30,31)27(7)8/h9-14H,1-8H3,(H,26,29)
InChIKeyKFQQPFCHQLOHOB-UHFFFAOYSA-N
XLogP4.26
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.60
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 34234365
N-(2,4-dimethylphenyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 30426277
N-methyl-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 17469136
6-(2,5-dimethylfuran-3-yl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16591725
N,1,6-tri(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 27648180
N-(4-chloro-2-methoxy-5-methylphenyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 46636123
N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 30438173
N-(4-chloro-2-fluorophenyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 30430326
N'-(2,5-dimethylfuran-3-carbonyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbohydrazide
CID 30434109
N-[2-(4-methylpiperazin-1-yl)phenyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 17476474
N-[3-(tert-butylsulfamoyl)phenyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 43030162
N-(1-methylsulfonylpiperidin-4-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 39999731

Frequently Asked Questions

What is the IUPAC name of N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide (CID 17486630) is N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide is Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)c2cc(C(C)C)nc3c2cnn3C(C)C)c1C.
What is the InChIKey of N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is KFQQPFCHQLOHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O3S/c1-13(2)20-11-18(19-12-24-28(14(3)4)22(19)25-20)23(29)26-21-10-17(9-15(5)16(21)6)32(30,31)27(7)8/h9-14H,1-8H3,(H,26,29).
What are the key properties of N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 457.60 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 17486630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).