3-cyclobutyl-1-[2-(difluoromethoxy)-4-pyridinyl]-N-(dimethylsulfamoyl)-4-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxamide

C28H36F2N8O5S — CID 126741935

IUPAC3-cyclobutyl-1-[2-(difluoromethoxy)-4-pyridinyl]-N-(dimethylsulfamoyl)-4-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxamide
SMILESCN(C)S(=O)(=O)NC(=O)c1cc(N2CCC(N3CCOCC3)CC2)c2c(C3CCC3)nn(-c3ccnc(OC(F)F)c3)c2n1
InChIInChI=1S/C28H36F2N8O5S/c1-35(2)44(40,41)34-27(39)21-17-22(37-10-7-19(8-11-37)36-12-14-42-15-13-36)24-25(18-4-3-5-18)33-38(26(24)32-21)20-6-9-31-23(16-20)43-28(29)30/h6,9,16-19,28H,3-5,7-8,10-15H2,1-2H3,(H,34,39)
InChIKeyPZAPWJXZHXEHND-UHFFFAOYSA-N
MW634.71 g/mol
LogP2.52
Rot. Bonds9

About 3-cyclobutyl-1-[2-(difluoromethoxy)-4-pyridinyl]-N-(dimethylsulfamoyl)-4-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxamide

3-cyclobutyl-1-[2-(difluoromethoxy)-4-pyridinyl]-N-(dimethylsulfamoyl)-4-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxamide (PubChem CID 126741935) has the molecular formula C28H36F2N8O5S and a molecular weight of 634.71 g/mol. Its IUPAC name is 3-cyclobutyl-1-[2-(difluoromethoxy)-4-pyridinyl]-N-(dimethylsulfamoyl)-4-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-cyclobutyl-1-[2-(difluoromethoxy)-4-pyridinyl]-N-(dimethylsulfamoyl)-4-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxamide
PubChem CID126741935
Molecular FormulaC28H36F2N8O5S
Molecular Weight634.71 g/mol
Exact Mass634.25
IUPAC Name3-cyclobutyl-1-[2-(difluoromethoxy)-4-pyridinyl]-N-(dimethylsulfamoyl)-4-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxamide
SMILESCN(C)S(=O)(=O)NC(=O)c1cc(N2CCC(N3CCOCC3)CC2)c2c(C3CCC3)nn(-c3ccnc(OC(F)F)c3)c2n1
InChIInChI=1S/C28H36F2N8O5S/c1-35(2)44(40,41)34-27(39)21-17-22(37-10-7-19(8-11-37)36-12-14-42-15-13-36)24-25(18-4-3-5-18)33-38(26(24)32-21)20-6-9-31-23(16-20)43-28(29)30/h6,9,16-19,28H,3-5,7-8,10-15H2,1-2H3,(H,34,39)
InChIKeyPZAPWJXZHXEHND-UHFFFAOYSA-N
XLogP2.52
TPSA135.02 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.71
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 3-cyclobutyl-1-[2-(difluoromethoxy)-4-pyridinyl]-N-(dimethylsulfamoyl)-4-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-cyclobutyl-N-(dimethylsulfamoyl)-1-(3-methylphenyl)-4-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxamide
CID 126742471
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
ethyl 3-cyclobutyl-1-(2-methoxy-4-pyridinyl)-4-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxylate
CID 126743604
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
N-(dimethylsulfamoyl)-1-(4-fluorophenyl)-4-(4-morpholin-4-ylpiperidin-1-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide
CID 126741598
4-[1-[3-cyclobutyl-1-[3-(difluoromethoxy)phenyl]pyrazolo[3,4-b]pyridin-4-yl]piperidin-4-yl]morpholine
CID 126763938
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
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
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-1-[2-(3,6-dihydro-2H-pyran-4-yl)-4-pyridinyl]-4-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 175084000

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-1-[2-(difluoromethoxy)-4-pyridinyl]-N-(dimethylsulfamoyl)-4-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxamide?
The IUPAC name of 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) is 3-cyclobutyl-1-[2-(difluoromethoxy)-4-pyridinyl]-N-(dimethylsulfamoyl)-4-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxamide.
What is the SMILES notation for 3-cyclobutyl-1-[2-(difluoromethoxy)-4-pyridinyl]-N-(dimethylsulfamoyl)-4-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxamide?
The canonical SMILES for 3-cyclobutyl-1-[2-(difluoromethoxy)-4-pyridinyl]-N-(dimethylsulfamoyl)-4-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxamide is CN(C)S(=O)(=O)NC(=O)c1cc(N2CCC(N3CCOCC3)CC2)c2c(C3CCC3)nn(-c3ccnc(OC(F)F)c3)c2n1.
What is the InChIKey of 3-cyclobutyl-1-[2-(difluoromethoxy)-4-pyridinyl]-N-(dimethylsulfamoyl)-4-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxamide?
The InChIKey is PZAPWJXZHXEHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36F2N8O5S/c1-35(2)44(40,41)34-27(39)21-17-22(37-10-7-19(8-11-37)36-12-14-42-15-13-36)24-25(18-4-3-5-18)33-38(26(24)32-21)20-6-9-31-23(16-20)43-28(29)30/h6,9,16-19,28H,3-5,7-8,10-15H2,1-2H3,(H,34,39).
What are the key properties of 3-cyclobutyl-1-[2-(difluoromethoxy)-4-pyridinyl]-N-(dimethylsulfamoyl)-4-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxamide?
3-cyclobutyl-1-[2-(difluoromethoxy)-4-pyridinyl]-N-(dimethylsulfamoyl)-4-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxamide has a molecular weight of 634.71 g/mol, XLogP of 2.52, 9 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-1-[2-(difluoromethoxy)-4-pyridinyl]-N-(dimethylsulfamoyl)-4-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxamide is sourced from PubChem (CID 126741935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).