5-[5-(3,3-difluoropiperidin-1-yl)sulfonyl-2-methylphenyl]-3-(1,2,4-triazol-1-yl)pyrazin-2-amine

C18H19F2N7O2S — CID 126570050

IUPAC5-[5-(3,3-difluoropiperidin-1-yl)sulfonyl-2-methylphenyl]-3-(1,2,4-triazol-1-yl)pyrazin-2-amine
SMILESCc1ccc(S(=O)(=O)N2CCCC(F)(F)C2)cc1-c1cnc(N)c(-n2cncn2)n1
InChIInChI=1S/C18H19F2N7O2S/c1-12-3-4-13(30(28,29)26-6-2-5-18(19,20)9-26)7-14(12)15-8-23-16(21)17(25-15)27-11-22-10-24-27/h3-4,7-8,10-11H,2,5-6,9H2,1H3,(H2,21,23)
InChIKeyQJHRNVMSRHPHPP-UHFFFAOYSA-N
MW435.46 g/mol
LogP2.03
Rot. Bonds4

About 5-[5-(3,3-difluoropiperidin-1-yl)sulfonyl-2-methylphenyl]-3-(1,2,4-triazol-1-yl)pyrazin-2-amine

5-[5-(3,3-difluoropiperidin-1-yl)sulfonyl-2-methylphenyl]-3-(1,2,4-triazol-1-yl)pyrazin-2-amine (PubChem CID 126570050) has the molecular formula C18H19F2N7O2S and a molecular weight of 435.46 g/mol. Its IUPAC name is 5-[5-(3,3-difluoropiperidin-1-yl)sulfonyl-2-methylphenyl]-3-(1,2,4-triazol-1-yl)pyrazin-2-amine.

Molecular Properties

Compound Name5-[5-(3,3-difluoropiperidin-1-yl)sulfonyl-2-methylphenyl]-3-(1,2,4-triazol-1-yl)pyrazin-2-amine
PubChem CID126570050
Molecular FormulaC18H19F2N7O2S
Molecular Weight435.46 g/mol
Exact Mass435.13
IUPAC Name5-[5-(3,3-difluoropiperidin-1-yl)sulfonyl-2-methylphenyl]-3-(1,2,4-triazol-1-yl)pyrazin-2-amine
SMILESCc1ccc(S(=O)(=O)N2CCCC(F)(F)C2)cc1-c1cnc(N)c(-n2cncn2)n1
InChIInChI=1S/C18H19F2N7O2S/c1-12-3-4-13(30(28,29)26-6-2-5-18(19,20)9-26)7-14(12)15-8-23-16(21)17(25-15)27-11-22-10-24-27/h3-4,7-8,10-11H,2,5-6,9H2,1H3,(H2,21,23)
InChIKeyQJHRNVMSRHPHPP-UHFFFAOYSA-N
XLogP2.03
TPSA119.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.46
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-[[[3-[5-amino-6-(1,2,4-triazol-1-yl)pyrazin-2-yl]-4-methylphenyl]sulfonylamino]methyl]cyclopropane-1-carboxamide
CID 126570051
3-[5-amino-6-(1,2,4-triazol-1-yl)pyrazin-2-yl]-N-cyclobutyl-4-methylbenzenesulfonamide
CID 126570016
3-[5-amino-6-(1,2,4-triazol-1-yl)pyrazin-2-yl]-4-methyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 126570064
3-[5-amino-6-(1,2,4-triazol-1-yl)pyrazin-2-yl]-N-(2-azabicyclo[2.1.1]hexan-4-yl)-4-methylbenzenesulfonamide
CID 164607355
3-[5-amino-6-(1,2,4-triazol-1-yl)pyrazin-2-yl]-4-methyl-N-[[(3S)-pyrrolidin-3-yl]methyl]benzenesulfonamide;sulfane
CID 157460188
2-[3-[[3-[5-amino-6-(1,2,4-triazol-1-yl)pyrazin-2-yl]-4-methylphenyl]sulfonylamino]-1-bicyclo[1.1.1]pentanyl]propan-2-yl 2,2,2-trifluoroacetate
CID 155210381
2,7-bis[(3,3-difluoropiperidin-1-yl)sulfonyl]fluoren-9-one
CID 135154329
2-chloro-5-(3,3-difluoropiperidin-1-yl)sulfonylaniline
CID 138985743
3-[5-(3,3-difluoropiperidin-1-yl)sulfonyl-2,4-dimethylphenyl]pyridin-4-amine
CID 171915077
3-(5-amino-6-pyrazol-1-ylpyrazin-2-yl)-N-(3-hydroxy-3-methylbutyl)-4-methylbenzenesulfonamide
CID 118470797
[[3-[5-amino-6-(triazol-2-yl)pyrazin-2-yl]-4-methylphenyl]sulfonyl-(3-cyano-1-bicyclo[1.1.1]pentanyl)amino] 2,2,2-trifluoroacetate
CID 155210217
3-[5-amino-6-(4-methylimidazol-1-yl)pyrazin-2-yl]-N-(3-hydroxypropyl)-4-methylbenzenesulfonamide
CID 118470885

Frequently Asked Questions

What is the IUPAC name of 5-[5-(3,3-difluoropiperidin-1-yl)sulfonyl-2-methylphenyl]-3-(1,2,4-triazol-1-yl)pyrazin-2-amine?
The IUPAC name of 5-[5-(3,3-difluoropiperidin-1-yl)sulfonyl-2-methylphenyl]-3-(1,2,4-triazol-1-yl)pyrazin-2-amine (CID 126570050) is 5-[5-(3,3-difluoropiperidin-1-yl)sulfonyl-2-methylphenyl]-3-(1,2,4-triazol-1-yl)pyrazin-2-amine.
What is the SMILES notation for 5-[5-(3,3-difluoropiperidin-1-yl)sulfonyl-2-methylphenyl]-3-(1,2,4-triazol-1-yl)pyrazin-2-amine?
The canonical SMILES for 5-[5-(3,3-difluoropiperidin-1-yl)sulfonyl-2-methylphenyl]-3-(1,2,4-triazol-1-yl)pyrazin-2-amine is Cc1ccc(S(=O)(=O)N2CCCC(F)(F)C2)cc1-c1cnc(N)c(-n2cncn2)n1.
What is the InChIKey of 5-[5-(3,3-difluoropiperidin-1-yl)sulfonyl-2-methylphenyl]-3-(1,2,4-triazol-1-yl)pyrazin-2-amine?
The InChIKey is QJHRNVMSRHPHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N7O2S/c1-12-3-4-13(30(28,29)26-6-2-5-18(19,20)9-26)7-14(12)15-8-23-16(21)17(25-15)27-11-22-10-24-27/h3-4,7-8,10-11H,2,5-6,9H2,1H3,(H2,21,23).
What are the key properties of 5-[5-(3,3-difluoropiperidin-1-yl)sulfonyl-2-methylphenyl]-3-(1,2,4-triazol-1-yl)pyrazin-2-amine?
5-[5-(3,3-difluoropiperidin-1-yl)sulfonyl-2-methylphenyl]-3-(1,2,4-triazol-1-yl)pyrazin-2-amine has a molecular weight of 435.46 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(3,3-difluoropiperidin-1-yl)sulfonyl-2-methylphenyl]-3-(1,2,4-triazol-1-yl)pyrazin-2-amine is sourced from PubChem (CID 126570050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).