3-cyclobutyl-1-cyclohexyl-N-(dimethylsulfamoyl)-4-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxamide

C30H47N7O4S — CID 126741561

IUPAC3-cyclobutyl-1-cyclohexyl-N-(dimethylsulfamoyl)-4-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxamide
SMILESCN(C)S(=O)(=O)NC(=O)c1cc(N2CCC(CCN3CCOCC3)CC2)c2c(C3CCC3)nn(C3CCCCC3)c2n1
InChIInChI=1S/C30H47N7O4S/c1-34(2)42(39,40)33-30(38)25-21-26(36-15-12-22(13-16-36)11-14-35-17-19-41-20-18-35)27-28(23-7-6-8-23)32-37(29(27)31-25)24-9-4-3-5-10-24/h21-24H,3-20H2,1-2H3,(H,33,38)
InChIKeyQLMKOPNJPZSYGA-UHFFFAOYSA-N
MW601.82 g/mol
LogP3.68
Rot. Bonds9

About 3-cyclobutyl-1-cyclohexyl-N-(dimethylsulfamoyl)-4-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxamide

3-cyclobutyl-1-cyclohexyl-N-(dimethylsulfamoyl)-4-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxamide (PubChem CID 126741561) has the molecular formula C30H47N7O4S and a molecular weight of 601.82 g/mol. Its IUPAC name is 3-cyclobutyl-1-cyclohexyl-N-(dimethylsulfamoyl)-4-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-cyclobutyl-1-cyclohexyl-N-(dimethylsulfamoyl)-4-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxamide
PubChem CID126741561
Molecular FormulaC30H47N7O4S
Molecular Weight601.82 g/mol
Exact Mass601.34
IUPAC Name3-cyclobutyl-1-cyclohexyl-N-(dimethylsulfamoyl)-4-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxamide
SMILESCN(C)S(=O)(=O)NC(=O)c1cc(N2CCC(CCN3CCOCC3)CC2)c2c(C3CCC3)nn(C3CCCCC3)c2n1
InChIInChI=1S/C30H47N7O4S/c1-34(2)42(39,40)33-30(38)25-21-26(36-15-12-22(13-16-36)11-14-35-17-19-41-20-18-35)27-28(23-7-6-8-23)32-37(29(27)31-25)24-9-4-3-5-10-24/h21-24H,3-20H2,1-2H3,(H,33,38)
InChIKeyQLMKOPNJPZSYGA-UHFFFAOYSA-N
XLogP3.68
TPSA112.90 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500601.82
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-1-cyclohexyl-N-(dimethylsulfamoyl)-4-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxamide?
The IUPAC name of 3-cyclobutyl-1-cyclohexyl-N-(dimethylsulfamoyl)-4-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxamide (CID 126741561) is 3-cyclobutyl-1-cyclohexyl-N-(dimethylsulfamoyl)-4-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxamide.
What is the SMILES notation for 3-cyclobutyl-1-cyclohexyl-N-(dimethylsulfamoyl)-4-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxamide?
The canonical SMILES for 3-cyclobutyl-1-cyclohexyl-N-(dimethylsulfamoyl)-4-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxamide is CN(C)S(=O)(=O)NC(=O)c1cc(N2CCC(CCN3CCOCC3)CC2)c2c(C3CCC3)nn(C3CCCCC3)c2n1.
What is the InChIKey of 3-cyclobutyl-1-cyclohexyl-N-(dimethylsulfamoyl)-4-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxamide?
The InChIKey is QLMKOPNJPZSYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H47N7O4S/c1-34(2)42(39,40)33-30(38)25-21-26(36-15-12-22(13-16-36)11-14-35-17-19-41-20-18-35)27-28(23-7-6-8-23)32-37(29(27)31-25)24-9-4-3-5-10-24/h21-24H,3-20H2,1-2H3,(H,33,38).
What are the key properties of 3-cyclobutyl-1-cyclohexyl-N-(dimethylsulfamoyl)-4-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxamide?
3-cyclobutyl-1-cyclohexyl-N-(dimethylsulfamoyl)-4-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxamide has a molecular weight of 601.82 g/mol, XLogP of 3.68, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-1-cyclohexyl-N-(dimethylsulfamoyl)-4-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxamide is sourced from PubChem (CID 126741561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).