N-ethenylsulfonyl-5-(6-fluoro-1-azaspiro[3.3]heptan-1-yl)-6-(4-fluorophenyl)pyrazine-2-carboxamide

C19H18F2N4O3S — CID 178088402

IUPACN-ethenylsulfonyl-5-(6-fluoro-1-azaspiro[3.3]heptan-1-yl)-6-(4-fluorophenyl)pyrazine-2-carboxamide
SMILESC=CS(=O)(=O)NC(=O)c1cnc(N2CCC23CC(F)C3)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C19H18F2N4O3S/c1-2-29(27,28)24-18(26)15-11-22-17(25-8-7-19(25)9-14(21)10-19)16(23-15)12-3-5-13(20)6-4-12/h2-6,11,14H,1,7-10H2,(H,24,26)
InChIKeyRBONATDHQGBVAV-UHFFFAOYSA-N
MW420.44 g/mol
LogP2.57
Rot. Bonds5

About N-ethenylsulfonyl-5-(6-fluoro-1-azaspiro[3.3]heptan-1-yl)-6-(4-fluorophenyl)pyrazine-2-carboxamide

N-ethenylsulfonyl-5-(6-fluoro-1-azaspiro[3.3]heptan-1-yl)-6-(4-fluorophenyl)pyrazine-2-carboxamide (PubChem CID 178088402) has the molecular formula C19H18F2N4O3S and a molecular weight of 420.44 g/mol. Its IUPAC name is N-ethenylsulfonyl-5-(6-fluoro-1-azaspiro[3.3]heptan-1-yl)-6-(4-fluorophenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-ethenylsulfonyl-5-(6-fluoro-1-azaspiro[3.3]heptan-1-yl)-6-(4-fluorophenyl)pyrazine-2-carboxamide
PubChem CID178088402
Molecular FormulaC19H18F2N4O3S
Molecular Weight420.44 g/mol
Exact Mass420.11
IUPAC NameN-ethenylsulfonyl-5-(6-fluoro-1-azaspiro[3.3]heptan-1-yl)-6-(4-fluorophenyl)pyrazine-2-carboxamide
SMILESC=CS(=O)(=O)NC(=O)c1cnc(N2CCC23CC(F)C3)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C19H18F2N4O3S/c1-2-29(27,28)24-18(26)15-11-22-17(25-8-7-19(25)9-14(21)10-19)16(23-15)12-3-5-13(20)6-4-12/h2-6,11,14H,1,7-10H2,(H,24,26)
InChIKeyRBONATDHQGBVAV-UHFFFAOYSA-N
XLogP2.57
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.44
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
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
5-(4,4-difluoropiperidin-1-yl)-N-ethenylsulfonyl-6-(4-fluorophenyl)-3-methoxypyrazine-2-carboxamide
CID 178088252
5-(6,6-difluoro-4-azaspiro[2.3]hexan-4-yl)-6-(4-fluorophenyl)pyrazine-2-carboxylic acid
CID 178088426
6-(4-fluorophenyl)-5-[2-[(1S)-3-fluorospiro[3.3]heptan-1-yl]ethyl]pyrazine-2-carboxylic acid
CID 178088399
N-[(2S)-3-cyclopropyl-2-hydroxypropyl]-6-(4-fluorophenyl)-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide
CID 162119855
4-(4-fluorophenyl)-2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1H-imidazole-5-carboxamide
CID 110092664
(3-(18F)fluoroazetidin-1-yl)-[1-[4-(4-fluorophenyl)pyrimidin-5-yl]piperidin-4-yl]methanone
CID 102593937
N-(2-cyclopropyl-2-hydroxypropyl)-6-(4-fluorophenyl)-5-[(2R)-2-methoxypropoxy]pyrazine-2-carboxamide
CID 24856676
N-(2-cyclopropyl-2-hydroxypropyl)-5-(cyclopropylmethoxy)-6-(4-fluorophenyl)pyrazine-2-carboxamide
CID 24800607

Frequently Asked Questions

What is the IUPAC name of N-ethenylsulfonyl-5-(6-fluoro-1-azaspiro[3.3]heptan-1-yl)-6-(4-fluorophenyl)pyrazine-2-carboxamide?
The IUPAC name of N-ethenylsulfonyl-5-(6-fluoro-1-azaspiro[3.3]heptan-1-yl)-6-(4-fluorophenyl)pyrazine-2-carboxamide (CID 178088402) is N-ethenylsulfonyl-5-(6-fluoro-1-azaspiro[3.3]heptan-1-yl)-6-(4-fluorophenyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-ethenylsulfonyl-5-(6-fluoro-1-azaspiro[3.3]heptan-1-yl)-6-(4-fluorophenyl)pyrazine-2-carboxamide?
The canonical SMILES for N-ethenylsulfonyl-5-(6-fluoro-1-azaspiro[3.3]heptan-1-yl)-6-(4-fluorophenyl)pyrazine-2-carboxamide is C=CS(=O)(=O)NC(=O)c1cnc(N2CCC23CC(F)C3)c(-c2ccc(F)cc2)n1.
What is the InChIKey of N-ethenylsulfonyl-5-(6-fluoro-1-azaspiro[3.3]heptan-1-yl)-6-(4-fluorophenyl)pyrazine-2-carboxamide?
The InChIKey is RBONATDHQGBVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4O3S/c1-2-29(27,28)24-18(26)15-11-22-17(25-8-7-19(25)9-14(21)10-19)16(23-15)12-3-5-13(20)6-4-12/h2-6,11,14H,1,7-10H2,(H,24,26).
What are the key properties of N-ethenylsulfonyl-5-(6-fluoro-1-azaspiro[3.3]heptan-1-yl)-6-(4-fluorophenyl)pyrazine-2-carboxamide?
N-ethenylsulfonyl-5-(6-fluoro-1-azaspiro[3.3]heptan-1-yl)-6-(4-fluorophenyl)pyrazine-2-carboxamide has a molecular weight of 420.44 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenylsulfonyl-5-(6-fluoro-1-azaspiro[3.3]heptan-1-yl)-6-(4-fluorophenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 178088402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).