N-ethenylsulfonyl-6-(4-fluorophenyl)-5-[(1-methylcyclopentyl)amino]pyrazine-2-carboxamide

C19H21FN4O3S — CID 178088451

IUPACN-ethenylsulfonyl-6-(4-fluorophenyl)-5-[(1-methylcyclopentyl)amino]pyrazine-2-carboxamide
SMILESC=CS(=O)(=O)NC(=O)c1cnc(NC2(C)CCCC2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C19H21FN4O3S/c1-3-28(26,27)24-18(25)15-12-21-17(23-19(2)10-4-5-11-19)16(22-15)13-6-8-14(20)9-7-13/h3,6-9,12H,1,4-5,10-11H2,2H3,(H,21,23)(H,24,25)
InChIKeyLKKKVMZEBJFCQG-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.23
Rot. Bonds6

About N-ethenylsulfonyl-6-(4-fluorophenyl)-5-[(1-methylcyclopentyl)amino]pyrazine-2-carboxamide

N-ethenylsulfonyl-6-(4-fluorophenyl)-5-[(1-methylcyclopentyl)amino]pyrazine-2-carboxamide (PubChem CID 178088451) has the molecular formula C19H21FN4O3S and a molecular weight of 404.47 g/mol. Its IUPAC name is N-ethenylsulfonyl-6-(4-fluorophenyl)-5-[(1-methylcyclopentyl)amino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-ethenylsulfonyl-6-(4-fluorophenyl)-5-[(1-methylcyclopentyl)amino]pyrazine-2-carboxamide
PubChem CID178088451
Molecular FormulaC19H21FN4O3S
Molecular Weight404.47 g/mol
Exact Mass404.13
IUPAC NameN-ethenylsulfonyl-6-(4-fluorophenyl)-5-[(1-methylcyclopentyl)amino]pyrazine-2-carboxamide
SMILESC=CS(=O)(=O)NC(=O)c1cnc(NC2(C)CCCC2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C19H21FN4O3S/c1-3-28(26,27)24-18(25)15-12-21-17(23-19(2)10-4-5-11-19)16(22-15)13-6-8-14(20)9-7-13/h3,6-9,12H,1,4-5,10-11H2,2H3,(H,21,23)(H,24,25)
InChIKeyLKKKVMZEBJFCQG-UHFFFAOYSA-N
XLogP3.23
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.23
H-Bond Donors ≤ 52
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-5-(6-fluoro-1-azaspiro[3.3]heptan-1-yl)-6-(4-fluorophenyl)pyrazine-2-carboxamide
CID 178088402
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
3-amino-5-(4,4-difluoropiperidin-1-yl)-N-ethenylsulfonyl-6-(4-fluorophenyl)pyrazine-2-carboxamide
CID 178088331
N-[5-(4-fluorophenyl)pyrazin-2-yl]acetamide
CID 86081806
4-fluoro-N-(1-methylcyclopentyl)benzenesulfonamide
CID 47377345
N-(2-cyclopropyl-2-hydroxypropyl)-6-(4-fluorophenyl)-5-(oxolan-2-ylmethoxy)pyrazine-2-carboxamide
CID 91368368
N-(2-cyclopropyl-2-hydroxypropyl)-5-(cyclopropylmethoxy)-6-(4-fluorophenyl)pyrazine-2-carboxamide
CID 24800607
N-(2-cyclopropyl-2-hydroxypropyl)-6-(4-fluorophenyl)-5-(3-methoxypropoxy)pyrazine-2-carboxamide
CID 24856593
2-[(1-methylcyclopentyl)amino]pyrimidine-4-carboxylic acid
CID 107553435
1-amino-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]cyclopentane-1-carboxamide;hydrochloride
CID 119266987

Frequently Asked Questions

What is the IUPAC name of N-ethenylsulfonyl-6-(4-fluorophenyl)-5-[(1-methylcyclopentyl)amino]pyrazine-2-carboxamide?
The IUPAC name of N-ethenylsulfonyl-6-(4-fluorophenyl)-5-[(1-methylcyclopentyl)amino]pyrazine-2-carboxamide (CID 178088451) is N-ethenylsulfonyl-6-(4-fluorophenyl)-5-[(1-methylcyclopentyl)amino]pyrazine-2-carboxamide.
What is the SMILES notation for N-ethenylsulfonyl-6-(4-fluorophenyl)-5-[(1-methylcyclopentyl)amino]pyrazine-2-carboxamide?
The canonical SMILES for N-ethenylsulfonyl-6-(4-fluorophenyl)-5-[(1-methylcyclopentyl)amino]pyrazine-2-carboxamide is C=CS(=O)(=O)NC(=O)c1cnc(NC2(C)CCCC2)c(-c2ccc(F)cc2)n1.
What is the InChIKey of N-ethenylsulfonyl-6-(4-fluorophenyl)-5-[(1-methylcyclopentyl)amino]pyrazine-2-carboxamide?
The InChIKey is LKKKVMZEBJFCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O3S/c1-3-28(26,27)24-18(25)15-12-21-17(23-19(2)10-4-5-11-19)16(22-15)13-6-8-14(20)9-7-13/h3,6-9,12H,1,4-5,10-11H2,2H3,(H,21,23)(H,24,25).
What are the key properties of N-ethenylsulfonyl-6-(4-fluorophenyl)-5-[(1-methylcyclopentyl)amino]pyrazine-2-carboxamide?
N-ethenylsulfonyl-6-(4-fluorophenyl)-5-[(1-methylcyclopentyl)amino]pyrazine-2-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenylsulfonyl-6-(4-fluorophenyl)-5-[(1-methylcyclopentyl)amino]pyrazine-2-carboxamide is sourced from PubChem (CID 178088451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).