3-cyclobutyl-N-(dimethylsulfamoyl)-1-(4-fluorophenyl)-4-(3-fluoro-1-piperidin-4-ylpiperidin-2-yl)pyrazolo[5,4-b]pyridine-6-carboxamide

C29H37F2N7O3S — CID 126753192

About 3-cyclobutyl-N-(dimethylsulfamoyl)-1-(4-fluorophenyl)-4-(3-fluoro-1-piperidin-4-ylpiperidin-2-yl)pyrazolo[5,4-b]pyridine-6-carboxamide

3-cyclobutyl-N-(dimethylsulfamoyl)-1-(4-fluorophenyl)-4-(3-fluoro-1-piperidin-4-ylpiperidin-2-yl)pyrazolo[5,4-b]pyridine-6-carboxamide (PubChem CID 126753192) has the molecular formula C29H37F2N7O3S and a molecular weight of 601.72 g/mol. Its IUPAC name is 3-cyclobutyl-N-(dimethylsulfamoyl)-1-(4-fluorophenyl)-4-(3-fluoro-1-piperidin-4-ylpiperidin-2-yl)pyrazolo[5,4-b]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: 3-cyclobutyl-N-(dimethylsulfamoyl)-1-(4-fluorophenyl)-4-(3-fluoro-1-piperidin-4-ylpiperidin-2-yl)pyrazolo[5,4-b]pyridine-6-carboxamide
• PubChem CID: 126753192
• Molecular Formula: C29H37F2N7O3S
• Molecular Weight: 601.72 g/mol
• Exact Mass: 601.26
• IUPAC Name: 3-cyclobutyl-N-(dimethylsulfamoyl)-1-(4-fluorophenyl)-4-(3-fluoro-1-piperidin-4-ylpiperidin-2-yl)pyrazolo[5,4-b]pyridine-6-carboxamide
• SMILES: CN(C)S(=O)(=O)NC(=O)c1cc(C2C(F)CCCN2C2CCNCC2)c2c(C3CCC3)nn(-c3ccc(F)cc3)c2n1
• InChI: InChI=1S/C29H37F2N7O3S/c1-36(2)42(40,41)35-29(39)24-17-22(27-23(31)7-4-16-37(27)20-12-14-32-15-13-20)25-26(18-5-3-6-18)34-38(28(25)33-24)21-10-8-19(30)9-11-21/h8-11,17-18,20,23,27,32H,3-7,12-16H2,1-2H3,(H,35,39)
• InChIKey: BUCJNXMQNLMUKT-UHFFFAOYSA-N
• XLogP: 3.59
• TPSA: 112.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	601.72
LogP ≤ 5	3.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-N-(dimethylsulfamoyl)-1-(4-fluorophenyl)-4-(3-fluoro-1-piperidin-4-ylpiperidin-2-yl)pyrazolo[5,4-b]pyridine-6-carboxamide?

The IUPAC name of 3-cyclobutyl-N-(dimethylsulfamoyl)-1-(4-fluorophenyl)-4-(3-fluoro-1-piperidin-4-ylpiperidin-2-yl)pyrazolo[5,4-b]pyridine-6-carboxamide (CID 126753192) is 3-cyclobutyl-N-(dimethylsulfamoyl)-1-(4-fluorophenyl)-4-(3-fluoro-1-piperidin-4-ylpiperidin-2-yl)pyrazolo[5,4-b]pyridine-6-carboxamide.

What is the SMILES notation for 3-cyclobutyl-N-(dimethylsulfamoyl)-1-(4-fluorophenyl)-4-(3-fluoro-1-piperidin-4-ylpiperidin-2-yl)pyrazolo[5,4-b]pyridine-6-carboxamide?

The canonical SMILES for 3-cyclobutyl-N-(dimethylsulfamoyl)-1-(4-fluorophenyl)-4-(3-fluoro-1-piperidin-4-ylpiperidin-2-yl)pyrazolo[5,4-b]pyridine-6-carboxamide is CN(C)S(=O)(=O)NC(=O)c1cc(C2C(F)CCCN2C2CCNCC2)c2c(C3CCC3)nn(-c3ccc(F)cc3)c2n1.

What is the InChIKey of 3-cyclobutyl-N-(dimethylsulfamoyl)-1-(4-fluorophenyl)-4-(3-fluoro-1-piperidin-4-ylpiperidin-2-yl)pyrazolo[5,4-b]pyridine-6-carboxamide?

The InChIKey is BUCJNXMQNLMUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37F2N7O3S/c1-36(2)42(40,41)35-29(39)24-17-22(27-23(31)7-4-16-37(27)20-12-14-32-15-13-20)25-26(18-5-3-6-18)34-38(28(25)33-24)21-10-8-19(30)9-11-21/h8-11,17-18,20,23,27,32H,3-7,12-16H2,1-2H3,(H,35,39).

What are the key properties of 3-cyclobutyl-N-(dimethylsulfamoyl)-1-(4-fluorophenyl)-4-(3-fluoro-1-piperidin-4-ylpiperidin-2-yl)pyrazolo[5,4-b]pyridine-6-carboxamide?

3-cyclobutyl-N-(dimethylsulfamoyl)-1-(4-fluorophenyl)-4-(3-fluoro-1-piperidin-4-ylpiperidin-2-yl)pyrazolo[5,4-b]pyridine-6-carboxamide has a molecular weight of 601.72 g/mol, XLogP of 3.59, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclobutyl-N-(dimethylsulfamoyl)-1-(4-fluorophenyl)-4-(3-fluoro-1-piperidin-4-ylpiperidin-2-yl)pyrazolo[5,4-b]pyridine-6-carboxamide is sourced from PubChem (CID 126753192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).