(6S)-7-(3-fluorophenyl)sulfonyl-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

C18H16FN3O2S — CID 125022271

IUPAC(6S)-7-(3-fluorophenyl)sulfonyl-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESO=S(=O)(c1cccc(F)c1)N1Cc2nccn2C[C@@H]1c1ccccc1
InChIInChI=1S/C18H16FN3O2S/c19-15-7-4-8-16(11-15)25(23,24)22-13-18-20-9-10-21(18)12-17(22)14-5-2-1-3-6-14/h1-11,17H,12-13H2/t17-/m1/s1
InChIKeyYPKOGLVXTBOKNP-QGZVFWFLSA-N
MW357.41 g/mol
LogP2.97
Rot. Bonds3

About (6S)-7-(3-fluorophenyl)sulfonyl-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

(6S)-7-(3-fluorophenyl)sulfonyl-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (PubChem CID 125022271) has the molecular formula C18H16FN3O2S and a molecular weight of 357.41 g/mol. Its IUPAC name is (6S)-7-(3-fluorophenyl)sulfonyl-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name(6S)-7-(3-fluorophenyl)sulfonyl-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
PubChem CID125022271
Molecular FormulaC18H16FN3O2S
Molecular Weight357.41 g/mol
Exact Mass357.09
IUPAC Name(6S)-7-(3-fluorophenyl)sulfonyl-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESO=S(=O)(c1cccc(F)c1)N1Cc2nccn2C[C@@H]1c1ccccc1
InChIInChI=1S/C18H16FN3O2S/c19-15-7-4-8-16(11-15)25(23,24)22-13-18-20-9-10-21(18)12-17(22)14-5-2-1-3-6-14/h1-11,17H,12-13H2/t17-/m1/s1
InChIKeyYPKOGLVXTBOKNP-QGZVFWFLSA-N
XLogP2.97
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2,5-difluorophenyl)-(6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone
CID 110117656
1-(benzenesulfonyl)-2-phenylaziridine
CID 576325
3-(4-fluorophenyl)-1-[(6R)-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one
CID 124989150
3-(2-fluorophenyl)-1-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one
CID 124999583
5-(3-fluorophenyl)sulfonyl-2-thia-5-azabicyclo[2.2.1]heptane
CID 122273000
3-(benzenesulfonyl)-7-(3-fluorophenyl)sulfonyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane
CID 53164994
(6R)-8-(benzenesulfonyl)-6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine
CID 97462213
4-[1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]pyrimidine
CID 110114763
1-(3-fluorophenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763589
(2S,3R)-2-benzyl-1-(3-fluorophenyl)sulfonylpyrrolidin-3-ol
CID 97470103
(3S,4R)-1-(3-fluorophenyl)sulfonyl-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120766465
(3-ethyl-1,2-oxazol-5-yl)-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
CID 124962333

Frequently Asked Questions

What is the IUPAC name of (6S)-7-(3-fluorophenyl)sulfonyl-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The IUPAC name of (6S)-7-(3-fluorophenyl)sulfonyl-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (CID 125022271) is (6S)-7-(3-fluorophenyl)sulfonyl-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.
What is the SMILES notation for (6S)-7-(3-fluorophenyl)sulfonyl-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The canonical SMILES for (6S)-7-(3-fluorophenyl)sulfonyl-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is O=S(=O)(c1cccc(F)c1)N1Cc2nccn2C[C@@H]1c1ccccc1.
What is the InChIKey of (6S)-7-(3-fluorophenyl)sulfonyl-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The InChIKey is YPKOGLVXTBOKNP-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H16FN3O2S/c19-15-7-4-8-16(11-15)25(23,24)22-13-18-20-9-10-21(18)12-17(22)14-5-2-1-3-6-14/h1-11,17H,12-13H2/t17-/m1/s1.
What are the key properties of (6S)-7-(3-fluorophenyl)sulfonyl-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
(6S)-7-(3-fluorophenyl)sulfonyl-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine has a molecular weight of 357.41 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-7-(3-fluorophenyl)sulfonyl-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is sourced from PubChem (CID 125022271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).