3-cyclobutyl-N-[methyl(propyl)sulfamoyl]-4-(oxan-4-ylmethoxy)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide

C27H35N5O5S — CID 126741465

IUPAC3-cyclobutyl-N-[methyl(propyl)sulfamoyl]-4-(oxan-4-ylmethoxy)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide
SMILESCCCN(C)S(=O)(=O)NC(=O)c1cc(OCC2CCOCC2)c2c(C3CCC3)nn(-c3ccccc3)c2n1
InChIInChI=1S/C27H35N5O5S/c1-3-14-31(2)38(34,35)30-27(33)22-17-23(37-18-19-12-15-36-16-13-19)24-25(20-8-7-9-20)29-32(26(24)28-22)21-10-5-4-6-11-21/h4-6,10-11,17,19-20H,3,7-9,12-16,18H2,1-2H3,(H,30,33)
InChIKeyOFCSKISHCPIERI-UHFFFAOYSA-N
MW541.67 g/mol
LogP3.81
Rot. Bonds10

About 3-cyclobutyl-N-[methyl(propyl)sulfamoyl]-4-(oxan-4-ylmethoxy)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide

3-cyclobutyl-N-[methyl(propyl)sulfamoyl]-4-(oxan-4-ylmethoxy)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide (PubChem CID 126741465) has the molecular formula C27H35N5O5S and a molecular weight of 541.67 g/mol. Its IUPAC name is 3-cyclobutyl-N-[methyl(propyl)sulfamoyl]-4-(oxan-4-ylmethoxy)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-cyclobutyl-N-[methyl(propyl)sulfamoyl]-4-(oxan-4-ylmethoxy)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide
PubChem CID126741465
Molecular FormulaC27H35N5O5S
Molecular Weight541.67 g/mol
Exact Mass541.24
IUPAC Name3-cyclobutyl-N-[methyl(propyl)sulfamoyl]-4-(oxan-4-ylmethoxy)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide
SMILESCCCN(C)S(=O)(=O)NC(=O)c1cc(OCC2CCOCC2)c2c(C3CCC3)nn(-c3ccccc3)c2n1
InChIInChI=1S/C27H35N5O5S/c1-3-14-31(2)38(34,35)30-27(33)22-17-23(37-18-19-12-15-36-16-13-19)24-25(20-8-7-9-20)29-32(26(24)28-22)21-10-5-4-6-11-21/h4-6,10-11,17,19-20H,3,7-9,12-16,18H2,1-2H3,(H,30,33)
InChIKeyOFCSKISHCPIERI-UHFFFAOYSA-N
XLogP3.81
TPSA115.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.67
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-cyclobutyl-N-[methyl(propyl)sulfamoyl]-4-(oxan-4-ylmethoxy)-1-phenylpyrazolo[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

N-tert-butylsulfonyl-3-cyclobutyl-4-(oxan-4-ylmethoxy)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide
CID 126742680
3-cyclobutyl-4-(oxan-4-ylmethoxy)-1-phenyl-N-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylpyrazolo[5,4-b]pyridine-6-carboxamide
CID 126742381
3-cyclobutyl-N-[2-(dimethylamino)ethylsulfonyl]-4-[4-(methoxymethyl)piperidin-1-yl]-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide
CID 126742201
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-4-(cyclohexylmethoxy)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid;3-cyclobutyl-4-[(1-methoxycarbonylpiperidin-4-yl)methoxy]-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid;methyl carbonochloridate
CID 159688997
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-N-(1,2-dimethylimidazol-4-yl)sulfonyl-4-[4-(methoxymethyl)piperidin-1-yl]-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide
CID 126741984
3-cyclobutyl-4-[4-(2-methoxyethyl)piperidin-1-yl]-N-methylsulfonyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide
CID 126742580
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-(2-methoxyethylsulfonyl)-4-(4-methoxypiperidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide
CID 126741831
3-cyclobutyl-4-(2-cyclohexylethoxy)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126743204
3-cyclobutyl-4-[4-(4-cyclopropylpiperazin-1-yl)piperidin-1-yl]-N-cyclopropylsulfonyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide
CID 126741589

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-N-[methyl(propyl)sulfamoyl]-4-(oxan-4-ylmethoxy)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide?
The IUPAC name of 3-cyclobutyl-N-[methyl(propyl)sulfamoyl]-4-(oxan-4-ylmethoxy)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide (CID 126741465) is 3-cyclobutyl-N-[methyl(propyl)sulfamoyl]-4-(oxan-4-ylmethoxy)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide.
What is the SMILES notation for 3-cyclobutyl-N-[methyl(propyl)sulfamoyl]-4-(oxan-4-ylmethoxy)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide?
The canonical SMILES for 3-cyclobutyl-N-[methyl(propyl)sulfamoyl]-4-(oxan-4-ylmethoxy)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide is CCCN(C)S(=O)(=O)NC(=O)c1cc(OCC2CCOCC2)c2c(C3CCC3)nn(-c3ccccc3)c2n1.
What is the InChIKey of 3-cyclobutyl-N-[methyl(propyl)sulfamoyl]-4-(oxan-4-ylmethoxy)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide?
The InChIKey is OFCSKISHCPIERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N5O5S/c1-3-14-31(2)38(34,35)30-27(33)22-17-23(37-18-19-12-15-36-16-13-19)24-25(20-8-7-9-20)29-32(26(24)28-22)21-10-5-4-6-11-21/h4-6,10-11,17,19-20H,3,7-9,12-16,18H2,1-2H3,(H,30,33).
What are the key properties of 3-cyclobutyl-N-[methyl(propyl)sulfamoyl]-4-(oxan-4-ylmethoxy)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide?
3-cyclobutyl-N-[methyl(propyl)sulfamoyl]-4-(oxan-4-ylmethoxy)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide has a molecular weight of 541.67 g/mol, XLogP of 3.81, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-N-[methyl(propyl)sulfamoyl]-4-(oxan-4-ylmethoxy)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide is sourced from PubChem (CID 126741465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).