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

C30H39FN6O4S — CID 126744363

IUPAC3-cyclobutyl-N-ethylsulfonyl-1-(4-fluorophenyl)-4-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxamide
SMILESCCS(=O)(=O)NC(=O)c1cc(N2CCC(CCN3CCOCC3)CC2)c2c(C3CCC3)nn(-c3ccc(F)cc3)c2n1
InChIInChI=1S/C30H39FN6O4S/c1-2-42(39,40)34-30(38)25-20-26(36-14-11-21(12-15-36)10-13-35-16-18-41-19-17-35)27-28(22-4-3-5-22)33-37(29(27)32-25)24-8-6-23(31)7-9-24/h6-9,20-22H,2-5,10-19H2,1H3,(H,34,38)
InChIKeyHMRIGGGLUFJGLU-UHFFFAOYSA-N
MW598.75 g/mol
LogP3.85
Rot. Bonds9

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

3-cyclobutyl-N-ethylsulfonyl-1-(4-fluorophenyl)-4-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxamide (PubChem CID 126744363) has the molecular formula C30H39FN6O4S and a molecular weight of 598.75 g/mol. Its IUPAC name is 3-cyclobutyl-N-ethylsulfonyl-1-(4-fluorophenyl)-4-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-cyclobutyl-N-ethylsulfonyl-1-(4-fluorophenyl)-4-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxamide
PubChem CID126744363
Molecular FormulaC30H39FN6O4S
Molecular Weight598.75 g/mol
Exact Mass598.27
IUPAC Name3-cyclobutyl-N-ethylsulfonyl-1-(4-fluorophenyl)-4-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxamide
SMILESCCS(=O)(=O)NC(=O)c1cc(N2CCC(CCN3CCOCC3)CC2)c2c(C3CCC3)nn(-c3ccc(F)cc3)c2n1
InChIInChI=1S/C30H39FN6O4S/c1-2-42(39,40)34-30(38)25-20-26(36-14-11-21(12-15-36)10-13-35-16-18-41-19-17-35)27-28(22-4-3-5-22)33-37(29(27)32-25)24-8-6-23(31)7-9-24/h6-9,20-22H,2-5,10-19H2,1H3,(H,34,38)
InChIKeyHMRIGGGLUFJGLU-UHFFFAOYSA-N
XLogP3.85
TPSA109.66 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500598.75
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

3-cyclobutyl-N-ethylsulfonyl-1-(4-fluorophenyl)-4-[4-(morpholin-4-ylmethyl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxamide
CID 126741619
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-(2-morpholin-4-ylethyl)piperidin-1-yl]-N-(2-phenylmethoxyethylsulfonyl)pyrazolo[5,4-b]pyridine-6-carboxamide
CID 129023767
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-cyclohexyl-N-(dimethylsulfamoyl)-4-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxamide
CID 126741561
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-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
3-cyclobutyl-4-[4-(2-methoxyethyl)piperidin-1-yl]-N-methylsulfonyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide
CID 126742580
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
methyl 3-cyclobutyl-1-(4-fluorophenyl)-4-[4-[methyl(oxan-4-yl)amino]piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxylate
CID 126742570
3-cyclobutyl-N-methylsulfonyl-1-phenyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxamide
CID 126741852
3-cyclobutyl-1-(4-fluorophenyl)-4-[4-(4-fluoropiperidin-1-yl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126742473

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-N-ethylsulfonyl-1-(4-fluorophenyl)-4-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxamide?
The IUPAC name of 3-cyclobutyl-N-ethylsulfonyl-1-(4-fluorophenyl)-4-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxamide (CID 126744363) is 3-cyclobutyl-N-ethylsulfonyl-1-(4-fluorophenyl)-4-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxamide.
What is the SMILES notation for 3-cyclobutyl-N-ethylsulfonyl-1-(4-fluorophenyl)-4-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxamide?
The canonical SMILES for 3-cyclobutyl-N-ethylsulfonyl-1-(4-fluorophenyl)-4-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxamide is CCS(=O)(=O)NC(=O)c1cc(N2CCC(CCN3CCOCC3)CC2)c2c(C3CCC3)nn(-c3ccc(F)cc3)c2n1.
What is the InChIKey of 3-cyclobutyl-N-ethylsulfonyl-1-(4-fluorophenyl)-4-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxamide?
The InChIKey is HMRIGGGLUFJGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39FN6O4S/c1-2-42(39,40)34-30(38)25-20-26(36-14-11-21(12-15-36)10-13-35-16-18-41-19-17-35)27-28(22-4-3-5-22)33-37(29(27)32-25)24-8-6-23(31)7-9-24/h6-9,20-22H,2-5,10-19H2,1H3,(H,34,38).
What are the key properties of 3-cyclobutyl-N-ethylsulfonyl-1-(4-fluorophenyl)-4-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxamide?
3-cyclobutyl-N-ethylsulfonyl-1-(4-fluorophenyl)-4-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxamide has a molecular weight of 598.75 g/mol, XLogP of 3.85, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-N-ethylsulfonyl-1-(4-fluorophenyl)-4-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxamide is sourced from PubChem (CID 126744363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).