3-cyclobutyl-1-(4-fluoro-3-methylphenyl)-N-methylsulfonyl-4-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxamide

C28H35FN6O4S — CID 126742998

IUPAC3-cyclobutyl-1-(4-fluoro-3-methylphenyl)-N-methylsulfonyl-4-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxamide
SMILESCc1cc(-n2nc(C3CCC3)c3c(N4CCC(N5CCOCC5)CC4)cc(C(=O)NS(C)(=O)=O)nc32)ccc1F
InChIInChI=1S/C28H35FN6O4S/c1-18-16-21(6-7-22(18)29)35-27-25(26(31-35)19-4-3-5-19)24(17-23(30-27)28(36)32-40(2,37)38)34-10-8-20(9-11-34)33-12-14-39-15-13-33/h6-7,16-17,19-20H,3-5,8-15H2,1-2H3,(H,32,36)
InChIKeyBBFYYXWGPYWLRJ-UHFFFAOYSA-N
MW570.69 g/mol
LogP3.13
Rot. Bonds6

About 3-cyclobutyl-1-(4-fluoro-3-methylphenyl)-N-methylsulfonyl-4-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxamide

3-cyclobutyl-1-(4-fluoro-3-methylphenyl)-N-methylsulfonyl-4-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxamide (PubChem CID 126742998) has the molecular formula C28H35FN6O4S and a molecular weight of 570.69 g/mol. Its IUPAC name is 3-cyclobutyl-1-(4-fluoro-3-methylphenyl)-N-methylsulfonyl-4-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-cyclobutyl-1-(4-fluoro-3-methylphenyl)-N-methylsulfonyl-4-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxamide
PubChem CID126742998
Molecular FormulaC28H35FN6O4S
Molecular Weight570.69 g/mol
Exact Mass570.24
IUPAC Name3-cyclobutyl-1-(4-fluoro-3-methylphenyl)-N-methylsulfonyl-4-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxamide
SMILESCc1cc(-n2nc(C3CCC3)c3c(N4CCC(N5CCOCC5)CC4)cc(C(=O)NS(C)(=O)=O)nc32)ccc1F
InChIInChI=1S/C28H35FN6O4S/c1-18-16-21(6-7-22(18)29)35-27-25(26(31-35)19-4-3-5-19)24(17-23(30-27)28(36)32-40(2,37)38)34-10-8-20(9-11-34)33-12-14-39-15-13-33/h6-7,16-17,19-20H,3-5,8-15H2,1-2H3,(H,32,36)
InChIKeyBBFYYXWGPYWLRJ-UHFFFAOYSA-N
XLogP3.13
TPSA109.66 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500570.69
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

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-1-(4-fluorophenyl)-4-(4-morpholin-4-ylpiperidin-1-yl)-N-(2,2,2-trifluoroethylsulfonyl)pyrazolo[5,4-b]pyridine-6-carboxamide
CID 126741493
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-1-(3-fluorophenyl)-4-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126742047
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-1-[2-(difluoromethoxy)-4-pyridinyl]-N-(dimethylsulfamoyl)-4-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxamide
CID 126741935
3-cyclobutyl-4-[4-(4-cyclopropylpiperazin-1-yl)piperidin-1-yl]-N-cyclopropylsulfonyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide
CID 126741589
3-cyclobutyl-N-ethylsulfanyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide
CID 155030055
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-ethylsulfonyl-1-(4-fluorophenyl)-4-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxamide
CID 126744363
3-cyclobutyl-1-(4-fluorophenyl)-4-[4-(4-fluoropiperidin-1-yl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126742473
ethane;ethyl 3-cyclobutyl-1-(3-methylphenyl)-4-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxylate
CID 145290255

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-1-(4-fluoro-3-methylphenyl)-N-methylsulfonyl-4-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxamide?
The IUPAC name of 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) is 3-cyclobutyl-1-(4-fluoro-3-methylphenyl)-N-methylsulfonyl-4-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxamide.
What is the SMILES notation for 3-cyclobutyl-1-(4-fluoro-3-methylphenyl)-N-methylsulfonyl-4-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxamide?
The canonical SMILES for 3-cyclobutyl-1-(4-fluoro-3-methylphenyl)-N-methylsulfonyl-4-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxamide is Cc1cc(-n2nc(C3CCC3)c3c(N4CCC(N5CCOCC5)CC4)cc(C(=O)NS(C)(=O)=O)nc32)ccc1F.
What is the InChIKey of 3-cyclobutyl-1-(4-fluoro-3-methylphenyl)-N-methylsulfonyl-4-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxamide?
The InChIKey is BBFYYXWGPYWLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35FN6O4S/c1-18-16-21(6-7-22(18)29)35-27-25(26(31-35)19-4-3-5-19)24(17-23(30-27)28(36)32-40(2,37)38)34-10-8-20(9-11-34)33-12-14-39-15-13-33/h6-7,16-17,19-20H,3-5,8-15H2,1-2H3,(H,32,36).
What are the key properties of 3-cyclobutyl-1-(4-fluoro-3-methylphenyl)-N-methylsulfonyl-4-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxamide?
3-cyclobutyl-1-(4-fluoro-3-methylphenyl)-N-methylsulfonyl-4-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxamide has a molecular weight of 570.69 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-1-(4-fluoro-3-methylphenyl)-N-methylsulfonyl-4-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxamide is sourced from PubChem (CID 126742998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).