3-cyclobutyl-N-methylsulfonyl-1-phenyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxamide

C24H27F3N6O3S — CID 126741852

IUPAC3-cyclobutyl-N-methylsulfonyl-1-phenyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxamide
SMILESCS(=O)(=O)NC(=O)c1cc(N2CCN(CC(F)(F)F)CC2)c2c(C3CCC3)nn(-c3ccccc3)c2n1
InChIInChI=1S/C24H27F3N6O3S/c1-37(35,36)30-23(34)18-14-19(32-12-10-31(11-13-32)15-24(25,26)27)20-21(16-6-5-7-16)29-33(22(20)28-18)17-8-3-2-4-9-17/h2-4,8-9,14,16H,5-7,10-13,15H2,1H3,(H,30,34)
InChIKeyAUYIEHOWXCZPFV-UHFFFAOYSA-N
MW536.58 g/mol
LogP3.06
Rot. Bonds6

About 3-cyclobutyl-N-methylsulfonyl-1-phenyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxamide

3-cyclobutyl-N-methylsulfonyl-1-phenyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxamide (PubChem CID 126741852) has the molecular formula C24H27F3N6O3S and a molecular weight of 536.58 g/mol. Its IUPAC name is 3-cyclobutyl-N-methylsulfonyl-1-phenyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-cyclobutyl-N-methylsulfonyl-1-phenyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxamide
PubChem CID126741852
Molecular FormulaC24H27F3N6O3S
Molecular Weight536.58 g/mol
Exact Mass536.18
IUPAC Name3-cyclobutyl-N-methylsulfonyl-1-phenyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxamide
SMILESCS(=O)(=O)NC(=O)c1cc(N2CCN(CC(F)(F)F)CC2)c2c(C3CCC3)nn(-c3ccccc3)c2n1
InChIInChI=1S/C24H27F3N6O3S/c1-37(35,36)30-23(34)18-14-19(32-12-10-31(11-13-32)15-24(25,26)27)20-21(16-6-5-7-16)29-33(22(20)28-18)17-8-3-2-4-9-17/h2-4,8-9,14,16H,5-7,10-13,15H2,1H3,(H,30,34)
InChIKeyAUYIEHOWXCZPFV-UHFFFAOYSA-N
XLogP3.06
TPSA100.43 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.58
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-cyclobutyl-4-[4-(2-methoxyethyl)piperidin-1-yl]-N-methylsulfonyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide
CID 126742580
3-cyclobutyl-N-methylsulfonyl-1-phenyl-4-(4-propan-2-yloxypiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxamide
CID 126741570
4-(2-azaspiro[3.4]octan-2-yl)-3-cyclobutyl-N-methylsulfonyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide
CID 126742632
3-cyclobutyl-4-[4-(3-methoxypropyl)piperazin-1-yl]-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126743177
3-cyclobutyl-N-(2-methoxyethylsulfonyl)-4-(4-methoxypiperidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide
CID 126741831
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-(1,2-dimethylimidazol-4-yl)sulfonyl-4-[4-(methoxymethyl)piperidin-1-yl]-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide
CID 126741984
methyl 3-cyclobutyl-1-phenyl-4-piperidin-1-ylpyrazolo[5,4-b]pyridine-6-carboxylate
CID 126741500
3-cyclobutyl-N-[2-(dimethylamino)ethylsulfonyl]-4-[4-(methoxymethyl)piperidin-1-yl]-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide
CID 126742201
3-cyclobutyl-4-(4-formylpiperidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126743494
benzyl 4-[[3-cyclobutyl-4-(4-methoxypiperidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carbonyl]sulfamoyl]piperidine-1-carboxylate
CID 126742855
3-cyclobutyl-4-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126743859

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-N-methylsulfonyl-1-phenyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxamide?
The IUPAC name of 3-cyclobutyl-N-methylsulfonyl-1-phenyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxamide (CID 126741852) is 3-cyclobutyl-N-methylsulfonyl-1-phenyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxamide.
What is the SMILES notation for 3-cyclobutyl-N-methylsulfonyl-1-phenyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxamide?
The canonical SMILES for 3-cyclobutyl-N-methylsulfonyl-1-phenyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxamide is CS(=O)(=O)NC(=O)c1cc(N2CCN(CC(F)(F)F)CC2)c2c(C3CCC3)nn(-c3ccccc3)c2n1.
What is the InChIKey of 3-cyclobutyl-N-methylsulfonyl-1-phenyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxamide?
The InChIKey is AUYIEHOWXCZPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N6O3S/c1-37(35,36)30-23(34)18-14-19(32-12-10-31(11-13-32)15-24(25,26)27)20-21(16-6-5-7-16)29-33(22(20)28-18)17-8-3-2-4-9-17/h2-4,8-9,14,16H,5-7,10-13,15H2,1H3,(H,30,34).
What are the key properties of 3-cyclobutyl-N-methylsulfonyl-1-phenyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxamide?
3-cyclobutyl-N-methylsulfonyl-1-phenyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxamide has a molecular weight of 536.58 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-N-methylsulfonyl-1-phenyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxamide is sourced from PubChem (CID 126741852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).