3-cyclobutyl-N-(dimethylsulfamoyl)-1-(3-methylphenyl)-4-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxamide

C29H39N7O4S — CID 126742471

IUPAC3-cyclobutyl-N-(dimethylsulfamoyl)-1-(3-methylphenyl)-4-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxamide
SMILESCc1cccc(-n2nc(C3CCC3)c3c(N4CCC(N5CCOCC5)CC4)cc(C(=O)NS(=O)(=O)N(C)C)nc32)c1
InChIInChI=1S/C29H39N7O4S/c1-20-6-4-9-23(18-20)36-28-26(27(31-36)21-7-5-8-21)25(19-24(30-28)29(37)32-41(38,39)33(2)3)35-12-10-22(11-13-35)34-14-16-40-17-15-34/h4,6,9,18-19,21-22H,5,7-8,10-17H2,1-3H3,(H,32,37)
InChIKeyMAVJJVPOJADJSN-UHFFFAOYSA-N
MW581.74 g/mol
LogP2.83
Rot. Bonds7

About 3-cyclobutyl-N-(dimethylsulfamoyl)-1-(3-methylphenyl)-4-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxamide

3-cyclobutyl-N-(dimethylsulfamoyl)-1-(3-methylphenyl)-4-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxamide (PubChem CID 126742471) has the molecular formula C29H39N7O4S and a molecular weight of 581.74 g/mol. Its IUPAC name is 3-cyclobutyl-N-(dimethylsulfamoyl)-1-(3-methylphenyl)-4-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-cyclobutyl-N-(dimethylsulfamoyl)-1-(3-methylphenyl)-4-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxamide
PubChem CID126742471
Molecular FormulaC29H39N7O4S
Molecular Weight581.74 g/mol
Exact Mass581.28
IUPAC Name3-cyclobutyl-N-(dimethylsulfamoyl)-1-(3-methylphenyl)-4-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxamide
SMILESCc1cccc(-n2nc(C3CCC3)c3c(N4CCC(N5CCOCC5)CC4)cc(C(=O)NS(=O)(=O)N(C)C)nc32)c1
InChIInChI=1S/C29H39N7O4S/c1-20-6-4-9-23(18-20)36-28-26(27(31-36)21-7-5-8-21)25(19-24(30-28)29(37)32-41(38,39)33(2)3)35-12-10-22(11-13-35)34-14-16-40-17-15-34/h4,6,9,18-19,21-22H,5,7-8,10-17H2,1-3H3,(H,32,37)
InChIKeyMAVJJVPOJADJSN-UHFFFAOYSA-N
XLogP2.83
TPSA112.90 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500581.74
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

3-cyclobutyl-1-[2-(difluoromethoxy)-4-pyridinyl]-N-(dimethylsulfamoyl)-4-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxamide
CID 126741935
ethane;ethyl 3-cyclobutyl-1-(3-methylphenyl)-4-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxylate
CID 145290255
3-cyclobutyl-N-(dimethylsulfamoyl)-1-(4-fluorophenyl)-4-[4-[4-(oxetan-3-yl)piperazin-1-yl]piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxamide
CID 126743444
3-cyclobutyl-1-(4-fluoro-3-methylphenyl)-N-methylsulfonyl-4-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxamide
CID 126742998
N-[benzyl(methyl)sulfamoyl]-3-cyclobutyl-1-(4-fluorophenyl)-4-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxamide
CID 126742850
3-cyclobutyl-1-(3-fluorophenyl)-4-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126742047
3-cyclobutyl-4-[4-(4-cyclopropylpiperazin-1-yl)piperidin-1-yl]-N-cyclopropylsulfonyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide
CID 126741589
3-cyclobutyl-N-ethylsulfanyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide
CID 155030055
3-cyclobutyl-N-(dimethylsulfamoyl)-1-(4-fluorophenyl)-4-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxamide
CID 126742513
N-(dimethylsulfamoyl)-1-(4-fluorophenyl)-4-(4-morpholin-4-ylpiperidin-1-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide
CID 126741598
3-cyclobutyl-1-(4-fluorophenyl)-4-(4-morpholin-4-ylpiperidin-1-yl)-N-(2,2,2-trifluoroethylsulfonyl)pyrazolo[5,4-b]pyridine-6-carboxamide
CID 126741493
1-[3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridin-6-yl]-2-morpholin-4-ylsulfonylethanone
CID 158361845

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-N-(dimethylsulfamoyl)-1-(3-methylphenyl)-4-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxamide?
The IUPAC name of 3-cyclobutyl-N-(dimethylsulfamoyl)-1-(3-methylphenyl)-4-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxamide (CID 126742471) is 3-cyclobutyl-N-(dimethylsulfamoyl)-1-(3-methylphenyl)-4-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxamide.
What is the SMILES notation for 3-cyclobutyl-N-(dimethylsulfamoyl)-1-(3-methylphenyl)-4-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxamide?
The canonical SMILES for 3-cyclobutyl-N-(dimethylsulfamoyl)-1-(3-methylphenyl)-4-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxamide is Cc1cccc(-n2nc(C3CCC3)c3c(N4CCC(N5CCOCC5)CC4)cc(C(=O)NS(=O)(=O)N(C)C)nc32)c1.
What is the InChIKey of 3-cyclobutyl-N-(dimethylsulfamoyl)-1-(3-methylphenyl)-4-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxamide?
The InChIKey is MAVJJVPOJADJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39N7O4S/c1-20-6-4-9-23(18-20)36-28-26(27(31-36)21-7-5-8-21)25(19-24(30-28)29(37)32-41(38,39)33(2)3)35-12-10-22(11-13-35)34-14-16-40-17-15-34/h4,6,9,18-19,21-22H,5,7-8,10-17H2,1-3H3,(H,32,37).
What are the key properties of 3-cyclobutyl-N-(dimethylsulfamoyl)-1-(3-methylphenyl)-4-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxamide?
3-cyclobutyl-N-(dimethylsulfamoyl)-1-(3-methylphenyl)-4-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxamide has a molecular weight of 581.74 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-N-(dimethylsulfamoyl)-1-(3-methylphenyl)-4-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxamide is sourced from PubChem (CID 126742471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).