N-ethenylsulfonyl-5-[(3S)-3-fluoro-1-azaspiro[3.3]heptan-1-yl]-6-(4-fluorophenyl)pyrazine-2-carboxamide

C19H18F2N4O3S — CID 178088449

IUPACN-ethenylsulfonyl-5-[(3S)-3-fluoro-1-azaspiro[3.3]heptan-1-yl]-6-(4-fluorophenyl)pyrazine-2-carboxamide
SMILESC=CS(=O)(=O)NC(=O)c1cnc(N2C[C@H](F)C23CCC3)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C19H18F2N4O3S/c1-2-29(27,28)24-18(26)14-10-22-17(25-11-15(21)19(25)8-3-9-19)16(23-14)12-4-6-13(20)7-5-12/h2,4-7,10,15H,1,3,8-9,11H2,(H,24,26)/t15-/m0/s1
InChIKeyBSMQXHAWEQDFQR-HNNXBMFYSA-N
MW420.44 g/mol
LogP2.57
Rot. Bonds5

About N-ethenylsulfonyl-5-[(3S)-3-fluoro-1-azaspiro[3.3]heptan-1-yl]-6-(4-fluorophenyl)pyrazine-2-carboxamide

N-ethenylsulfonyl-5-[(3S)-3-fluoro-1-azaspiro[3.3]heptan-1-yl]-6-(4-fluorophenyl)pyrazine-2-carboxamide (PubChem CID 178088449) has the molecular formula C19H18F2N4O3S and a molecular weight of 420.44 g/mol. Its IUPAC name is N-ethenylsulfonyl-5-[(3S)-3-fluoro-1-azaspiro[3.3]heptan-1-yl]-6-(4-fluorophenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-ethenylsulfonyl-5-[(3S)-3-fluoro-1-azaspiro[3.3]heptan-1-yl]-6-(4-fluorophenyl)pyrazine-2-carboxamide
PubChem CID178088449
Molecular FormulaC19H18F2N4O3S
Molecular Weight420.44 g/mol
Exact Mass420.11
IUPAC NameN-ethenylsulfonyl-5-[(3S)-3-fluoro-1-azaspiro[3.3]heptan-1-yl]-6-(4-fluorophenyl)pyrazine-2-carboxamide
SMILESC=CS(=O)(=O)NC(=O)c1cnc(N2C[C@H](F)C23CCC3)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C19H18F2N4O3S/c1-2-29(27,28)24-18(26)14-10-22-17(25-11-15(21)19(25)8-3-9-19)16(23-14)12-4-6-13(20)7-5-12/h2,4-7,10,15H,1,3,8-9,11H2,(H,24,26)/t15-/m0/s1
InChIKeyBSMQXHAWEQDFQR-HNNXBMFYSA-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

Analyze N-ethenylsulfonyl-5-[(3S)-3-fluoro-1-azaspiro[3.3]heptan-1-yl]-6-(4-fluorophenyl)pyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethenylsulfonyl-5-(6-fluoro-1-azaspiro[3.3]heptan-1-yl)-6-(4-fluorophenyl)pyrazine-2-carboxamide
CID 178088402
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
N-cyclopentyl-5-(4-fluorophenyl)-1,2-oxazole-4-carboxamide
CID 110647434
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-[(5S,6S)-6-hydroxy-1-methylsulfonyl-1,8-diazaspiro[4.5]decan-8-yl]acetamide
CID 110167252
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-[(3S)-3-fluoro-1-azaspiro[3.3]heptan-1-yl]-6-(4-fluorophenyl)pyrazine-2-carboxamide?
The IUPAC name of N-ethenylsulfonyl-5-[(3S)-3-fluoro-1-azaspiro[3.3]heptan-1-yl]-6-(4-fluorophenyl)pyrazine-2-carboxamide (CID 178088449) is N-ethenylsulfonyl-5-[(3S)-3-fluoro-1-azaspiro[3.3]heptan-1-yl]-6-(4-fluorophenyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-ethenylsulfonyl-5-[(3S)-3-fluoro-1-azaspiro[3.3]heptan-1-yl]-6-(4-fluorophenyl)pyrazine-2-carboxamide?
The canonical SMILES for N-ethenylsulfonyl-5-[(3S)-3-fluoro-1-azaspiro[3.3]heptan-1-yl]-6-(4-fluorophenyl)pyrazine-2-carboxamide is C=CS(=O)(=O)NC(=O)c1cnc(N2C[C@H](F)C23CCC3)c(-c2ccc(F)cc2)n1.
What is the InChIKey of N-ethenylsulfonyl-5-[(3S)-3-fluoro-1-azaspiro[3.3]heptan-1-yl]-6-(4-fluorophenyl)pyrazine-2-carboxamide?
The InChIKey is BSMQXHAWEQDFQR-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H18F2N4O3S/c1-2-29(27,28)24-18(26)14-10-22-17(25-11-15(21)19(25)8-3-9-19)16(23-14)12-4-6-13(20)7-5-12/h2,4-7,10,15H,1,3,8-9,11H2,(H,24,26)/t15-/m0/s1.
What are the key properties of N-ethenylsulfonyl-5-[(3S)-3-fluoro-1-azaspiro[3.3]heptan-1-yl]-6-(4-fluorophenyl)pyrazine-2-carboxamide?
N-ethenylsulfonyl-5-[(3S)-3-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-[(3S)-3-fluoro-1-azaspiro[3.3]heptan-1-yl]-6-(4-fluorophenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 178088449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).