N-(dimethylsulfamoyl)-1-(4-fluorophenyl)-4-(4-morpholin-4-ylpiperidin-1-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide

C27H36FN7O4S — CID 126741598

IUPACN-(dimethylsulfamoyl)-1-(4-fluorophenyl)-4-(4-morpholin-4-ylpiperidin-1-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide
SMILESCC(C)c1nn(-c2ccc(F)cc2)c2nc(C(=O)NS(=O)(=O)N(C)C)cc(N3CCC(N4CCOCC4)CC3)c12
InChIInChI=1S/C27H36FN7O4S/c1-18(2)25-24-23(34-11-9-20(10-12-34)33-13-15-39-16-14-33)17-22(27(36)31-40(37,38)32(3)4)29-26(24)35(30-25)21-7-5-19(28)6-8-21/h5-8,17-18,20H,9-16H2,1-4H3,(H,31,36)
InChIKeyUVGPJHJTNSHDDJ-UHFFFAOYSA-N
MW573.70 g/mol
LogP2.52
Rot. Bonds7

About N-(dimethylsulfamoyl)-1-(4-fluorophenyl)-4-(4-morpholin-4-ylpiperidin-1-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide

N-(dimethylsulfamoyl)-1-(4-fluorophenyl)-4-(4-morpholin-4-ylpiperidin-1-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide (PubChem CID 126741598) has the molecular formula C27H36FN7O4S and a molecular weight of 573.70 g/mol. Its IUPAC name is N-(dimethylsulfamoyl)-1-(4-fluorophenyl)-4-(4-morpholin-4-ylpiperidin-1-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(dimethylsulfamoyl)-1-(4-fluorophenyl)-4-(4-morpholin-4-ylpiperidin-1-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide
PubChem CID126741598
Molecular FormulaC27H36FN7O4S
Molecular Weight573.70 g/mol
Exact Mass573.25
IUPAC NameN-(dimethylsulfamoyl)-1-(4-fluorophenyl)-4-(4-morpholin-4-ylpiperidin-1-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide
SMILESCC(C)c1nn(-c2ccc(F)cc2)c2nc(C(=O)NS(=O)(=O)N(C)C)cc(N3CCC(N4CCOCC4)CC3)c12
InChIInChI=1S/C27H36FN7O4S/c1-18(2)25-24-23(34-11-9-20(10-12-34)33-13-15-39-16-14-33)17-22(27(36)31-40(37,38)32(3)4)29-26(24)35(30-25)21-7-5-19(28)6-8-21/h5-8,17-18,20H,9-16H2,1-4H3,(H,31,36)
InChIKeyUVGPJHJTNSHDDJ-UHFFFAOYSA-N
XLogP2.52
TPSA112.90 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500573.70
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-(dimethylsulfamoyl)-1-(4-fluorophenyl)-4-(4-morpholin-4-ylpiperidin-1-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide?
The IUPAC name of N-(dimethylsulfamoyl)-1-(4-fluorophenyl)-4-(4-morpholin-4-ylpiperidin-1-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide (CID 126741598) is N-(dimethylsulfamoyl)-1-(4-fluorophenyl)-4-(4-morpholin-4-ylpiperidin-1-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide.
What is the SMILES notation for N-(dimethylsulfamoyl)-1-(4-fluorophenyl)-4-(4-morpholin-4-ylpiperidin-1-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide?
The canonical SMILES for N-(dimethylsulfamoyl)-1-(4-fluorophenyl)-4-(4-morpholin-4-ylpiperidin-1-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide is CC(C)c1nn(-c2ccc(F)cc2)c2nc(C(=O)NS(=O)(=O)N(C)C)cc(N3CCC(N4CCOCC4)CC3)c12.
What is the InChIKey of N-(dimethylsulfamoyl)-1-(4-fluorophenyl)-4-(4-morpholin-4-ylpiperidin-1-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide?
The InChIKey is UVGPJHJTNSHDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36FN7O4S/c1-18(2)25-24-23(34-11-9-20(10-12-34)33-13-15-39-16-14-33)17-22(27(36)31-40(37,38)32(3)4)29-26(24)35(30-25)21-7-5-19(28)6-8-21/h5-8,17-18,20H,9-16H2,1-4H3,(H,31,36).
What are the key properties of N-(dimethylsulfamoyl)-1-(4-fluorophenyl)-4-(4-morpholin-4-ylpiperidin-1-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide?
N-(dimethylsulfamoyl)-1-(4-fluorophenyl)-4-(4-morpholin-4-ylpiperidin-1-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide has a molecular weight of 573.70 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dimethylsulfamoyl)-1-(4-fluorophenyl)-4-(4-morpholin-4-ylpiperidin-1-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide is sourced from PubChem (CID 126741598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).