5-(4,4-difluoropiperidin-1-yl)-N-ethenylsulfonyl-6-(4-fluorophenyl)-3-methoxypyrazine-2-carboxamide

C19H19F3N4O4S — CID 178088252

IUPAC5-(4,4-difluoropiperidin-1-yl)-N-ethenylsulfonyl-6-(4-fluorophenyl)-3-methoxypyrazine-2-carboxamide
SMILESC=CS(=O)(=O)NC(=O)c1nc(-c2ccc(F)cc2)c(N2CCC(F)(F)CC2)nc1OC
InChIInChI=1S/C19H19F3N4O4S/c1-3-31(28,29)25-17(27)15-18(30-2)24-16(26-10-8-19(21,22)9-11-26)14(23-15)12-4-6-13(20)7-5-12/h3-7H,1,8-11H2,2H3,(H,25,27)
InChIKeyGUANJAVZXCWSAM-UHFFFAOYSA-N
MW456.45 g/mol
LogP2.73
Rot. Bonds6

About 5-(4,4-difluoropiperidin-1-yl)-N-ethenylsulfonyl-6-(4-fluorophenyl)-3-methoxypyrazine-2-carboxamide

5-(4,4-difluoropiperidin-1-yl)-N-ethenylsulfonyl-6-(4-fluorophenyl)-3-methoxypyrazine-2-carboxamide (PubChem CID 178088252) has the molecular formula C19H19F3N4O4S and a molecular weight of 456.45 g/mol. Its IUPAC name is 5-(4,4-difluoropiperidin-1-yl)-N-ethenylsulfonyl-6-(4-fluorophenyl)-3-methoxypyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(4,4-difluoropiperidin-1-yl)-N-ethenylsulfonyl-6-(4-fluorophenyl)-3-methoxypyrazine-2-carboxamide
PubChem CID178088252
Molecular FormulaC19H19F3N4O4S
Molecular Weight456.45 g/mol
Exact Mass456.11
IUPAC Name5-(4,4-difluoropiperidin-1-yl)-N-ethenylsulfonyl-6-(4-fluorophenyl)-3-methoxypyrazine-2-carboxamide
SMILESC=CS(=O)(=O)NC(=O)c1nc(-c2ccc(F)cc2)c(N2CCC(F)(F)CC2)nc1OC
InChIInChI=1S/C19H19F3N4O4S/c1-3-31(28,29)25-17(27)15-18(30-2)24-16(26-10-8-19(21,22)9-11-26)14(23-15)12-4-6-13(20)7-5-12/h3-7H,1,8-11H2,2H3,(H,25,27)
InChIKeyGUANJAVZXCWSAM-UHFFFAOYSA-N
XLogP2.73
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.45
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-5-(4,4-difluoropiperidin-1-yl)-N-ethenylsulfonyl-6-(4-fluorophenyl)pyrazine-2-carboxamide
CID 178088331
4-cyano-5-(4,4-difluoropiperidin-1-yl)-N-ethenylsulfonyl-6-(4-fluorophenyl)pyridine-2-carboxamide
CID 178088421
N-ethenylsulfonyl-5-(6-fluoro-1-azaspiro[3.3]heptan-1-yl)-6-(4-fluorophenyl)pyrazine-2-carboxamide
CID 178088402
N-ethenylsulfonyl-5-[(3S)-3-fluoro-1-azaspiro[3.3]heptan-1-yl]-6-(4-fluorophenyl)pyrazine-2-carboxamide
CID 178088449
N-ethenylsulfonyl-6-(4-fluorophenyl)-5-[(1-methylcyclopentyl)amino]pyrazine-2-carboxamide
CID 178088451
4-chloro-5-[(2R)-3,3-difluoro-2-methylazetidin-1-yl]-N-ethenylsulfonyl-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 178087860
methyl 2-[[5-cyclopropyl-6-(4-fluorophenyl)-3-methoxypyrazine-2-carbonyl]amino]-2-methylpropanoate
CID 68706853
methyl 2-(4-fluorophenyl)-3-pyrrolidin-1-ylquinoxaline-6-carboxylate
CID 70664630
methyl 6-but-3-enyl-2-(4,4-difluoroazepan-1-yl)pyridine-3-carboxylate
CID 169124821
5-(3,3-difluoropyrrolidin-1-yl)-4-(4-fluorophenyl)-1,3-thiazole-2-carboxylic acid
CID 178087810
methyl 3-(4,4-difluoroazepan-1-yl)quinoxaline-2-carboxylate
CID 169264265
ethyl 4-cyano-5-(4,4-difluoropiperidin-1-yl)-6-(4-fluorophenyl)pyridine-2-carboxylate
CID 178088219

Frequently Asked Questions

What is the IUPAC name of 5-(4,4-difluoropiperidin-1-yl)-N-ethenylsulfonyl-6-(4-fluorophenyl)-3-methoxypyrazine-2-carboxamide?
The IUPAC name of 5-(4,4-difluoropiperidin-1-yl)-N-ethenylsulfonyl-6-(4-fluorophenyl)-3-methoxypyrazine-2-carboxamide (CID 178088252) is 5-(4,4-difluoropiperidin-1-yl)-N-ethenylsulfonyl-6-(4-fluorophenyl)-3-methoxypyrazine-2-carboxamide.
What is the SMILES notation for 5-(4,4-difluoropiperidin-1-yl)-N-ethenylsulfonyl-6-(4-fluorophenyl)-3-methoxypyrazine-2-carboxamide?
The canonical SMILES for 5-(4,4-difluoropiperidin-1-yl)-N-ethenylsulfonyl-6-(4-fluorophenyl)-3-methoxypyrazine-2-carboxamide is C=CS(=O)(=O)NC(=O)c1nc(-c2ccc(F)cc2)c(N2CCC(F)(F)CC2)nc1OC.
What is the InChIKey of 5-(4,4-difluoropiperidin-1-yl)-N-ethenylsulfonyl-6-(4-fluorophenyl)-3-methoxypyrazine-2-carboxamide?
The InChIKey is GUANJAVZXCWSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O4S/c1-3-31(28,29)25-17(27)15-18(30-2)24-16(26-10-8-19(21,22)9-11-26)14(23-15)12-4-6-13(20)7-5-12/h3-7H,1,8-11H2,2H3,(H,25,27).
What are the key properties of 5-(4,4-difluoropiperidin-1-yl)-N-ethenylsulfonyl-6-(4-fluorophenyl)-3-methoxypyrazine-2-carboxamide?
5-(4,4-difluoropiperidin-1-yl)-N-ethenylsulfonyl-6-(4-fluorophenyl)-3-methoxypyrazine-2-carboxamide has a molecular weight of 456.45 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4-difluoropiperidin-1-yl)-N-ethenylsulfonyl-6-(4-fluorophenyl)-3-methoxypyrazine-2-carboxamide is sourced from PubChem (CID 178088252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).