1-cyclohexyl-4-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-N-(dimethylsulfamoyl)-3-propan-2-yloxypyrazolo[5,4-b]pyridine-6-carboxamide

C32H45N7O5S — CID 126741353

IUPAC1-cyclohexyl-4-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-N-(dimethylsulfamoyl)-3-propan-2-yloxypyrazolo[5,4-b]pyridine-6-carboxamide
SMILESCC(C)Oc1nn(C2CCCCC2)c2nc(C(=O)NS(=O)(=O)N(C)C)cc(-c3ccc(C(=O)N4CCC(N(C)C)CC4)cc3)c12
InChIInChI=1S/C32H45N7O5S/c1-21(2)44-31-28-26(22-12-14-23(15-13-22)32(41)38-18-16-24(17-19-38)36(3)4)20-27(30(40)35-45(42,43)37(5)6)33-29(28)39(34-31)25-10-8-7-9-11-25/h12-15,20-21,24-25H,7-11,16-19H2,1-6H3,(H,35,40)
InChIKeyZFDMHFNVSLROEV-UHFFFAOYSA-N
MW639.82 g/mol
LogP4.09
Rot. Bonds9

About 1-cyclohexyl-4-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-N-(dimethylsulfamoyl)-3-propan-2-yloxypyrazolo[5,4-b]pyridine-6-carboxamide

1-cyclohexyl-4-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-N-(dimethylsulfamoyl)-3-propan-2-yloxypyrazolo[5,4-b]pyridine-6-carboxamide (PubChem CID 126741353) has the molecular formula C32H45N7O5S and a molecular weight of 639.82 g/mol. Its IUPAC name is 1-cyclohexyl-4-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-N-(dimethylsulfamoyl)-3-propan-2-yloxypyrazolo[5,4-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-4-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-N-(dimethylsulfamoyl)-3-propan-2-yloxypyrazolo[5,4-b]pyridine-6-carboxamide
PubChem CID126741353
Molecular FormulaC32H45N7O5S
Molecular Weight639.82 g/mol
Exact Mass639.32
IUPAC Name1-cyclohexyl-4-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-N-(dimethylsulfamoyl)-3-propan-2-yloxypyrazolo[5,4-b]pyridine-6-carboxamide
SMILESCC(C)Oc1nn(C2CCCCC2)c2nc(C(=O)NS(=O)(=O)N(C)C)cc(-c3ccc(C(=O)N4CCC(N(C)C)CC4)cc3)c12
InChIInChI=1S/C32H45N7O5S/c1-21(2)44-31-28-26(22-12-14-23(15-13-22)32(41)38-18-16-24(17-19-38)36(3)4)20-27(30(40)35-45(42,43)37(5)6)33-29(28)39(34-31)25-10-8-7-9-11-25/h12-15,20-21,24-25H,7-11,16-19H2,1-6H3,(H,35,40)
InChIKeyZFDMHFNVSLROEV-UHFFFAOYSA-N
XLogP4.09
TPSA129.97 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500639.82
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-cyclohexyl-4-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-N-(dimethylsulfamoyl)-3-propan-2-yloxypyrazolo[5,4-b]pyridine-6-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

1-cyclohexyl-4-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-3-propan-2-yloxypyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126742338
1-cyclohexyl-4-[6-(dimethylamino)-3-pyridinyl]-N-methylsulfonyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide
CID 126742945
4-[4-(4-cyanopiperidin-4-yl)phenyl]-1-cyclohexyl-3-propan-2-yloxypyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 151008563
1-cyclohexyl-4-(4-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126743142
N-ethylsulfonyl-4-(4-morpholin-4-ylphenyl)-1-(oxan-3-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide
CID 126742175
methyl 4-[4-(dimethylamino)piperidine-1-carbonyl]benzoate
CID 60579417
4-[4-[methyl(oxan-4-yl)amino]phenyl]-N-methylsulfonyl-3-propan-2-yl-1-(3-pyrrolidin-1-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxamide
CID 126742424
N-cyclohexyl-4-(4-cyclopentylpiperazine-1-carbonyl)-N-methylbenzenesulfonamide
CID 55584050
N-cyclohexyl-N-methyl-2-[1-(4-propan-2-yloxybenzoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 23799785
methyl 4-[4-[cyclohexyl(methyl)sulfamoyl]piperazine-1-carbonyl]benzoate
CID 55599328
N-[4-[4-(dimethylamino)azepane-1-carbonyl]phenyl]acetamide
CID 136536271
4-(4-aminopiperidine-1-carbonyl)-N-cyclohexyl-N-methylbenzenesulfonamide
CID 119375160

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-N-(dimethylsulfamoyl)-3-propan-2-yloxypyrazolo[5,4-b]pyridine-6-carboxamide?
The IUPAC name of 1-cyclohexyl-4-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-N-(dimethylsulfamoyl)-3-propan-2-yloxypyrazolo[5,4-b]pyridine-6-carboxamide (CID 126741353) is 1-cyclohexyl-4-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-N-(dimethylsulfamoyl)-3-propan-2-yloxypyrazolo[5,4-b]pyridine-6-carboxamide.
What is the SMILES notation for 1-cyclohexyl-4-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-N-(dimethylsulfamoyl)-3-propan-2-yloxypyrazolo[5,4-b]pyridine-6-carboxamide?
The canonical SMILES for 1-cyclohexyl-4-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-N-(dimethylsulfamoyl)-3-propan-2-yloxypyrazolo[5,4-b]pyridine-6-carboxamide is CC(C)Oc1nn(C2CCCCC2)c2nc(C(=O)NS(=O)(=O)N(C)C)cc(-c3ccc(C(=O)N4CCC(N(C)C)CC4)cc3)c12.
What is the InChIKey of 1-cyclohexyl-4-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-N-(dimethylsulfamoyl)-3-propan-2-yloxypyrazolo[5,4-b]pyridine-6-carboxamide?
The InChIKey is ZFDMHFNVSLROEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H45N7O5S/c1-21(2)44-31-28-26(22-12-14-23(15-13-22)32(41)38-18-16-24(17-19-38)36(3)4)20-27(30(40)35-45(42,43)37(5)6)33-29(28)39(34-31)25-10-8-7-9-11-25/h12-15,20-21,24-25H,7-11,16-19H2,1-6H3,(H,35,40).
What are the key properties of 1-cyclohexyl-4-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-N-(dimethylsulfamoyl)-3-propan-2-yloxypyrazolo[5,4-b]pyridine-6-carboxamide?
1-cyclohexyl-4-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-N-(dimethylsulfamoyl)-3-propan-2-yloxypyrazolo[5,4-b]pyridine-6-carboxamide has a molecular weight of 639.82 g/mol, XLogP of 4.09, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-N-(dimethylsulfamoyl)-3-propan-2-yloxypyrazolo[5,4-b]pyridine-6-carboxamide is sourced from PubChem (CID 126741353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).