3-(2-fluorophenyl)-1-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one

C21H20FN3O — CID 124999583

IUPAC3-(2-fluorophenyl)-1-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one
SMILESO=C(CCc1ccccc1F)N1Cc2nccn2C[C@@H]1c1ccccc1
InChIInChI=1S/C21H20FN3O/c22-18-9-5-4-6-16(18)10-11-21(26)25-15-20-23-12-13-24(20)14-19(25)17-7-2-1-3-8-17/h1-9,12-13,19H,10-11,14-15H2/t19-/m1/s1
InChIKeyRPTRHFQOOGNOOI-LJQANCHMSA-N
MW349.41 g/mol
LogP3.74
Rot. Bonds4

About 3-(2-fluorophenyl)-1-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one

3-(2-fluorophenyl)-1-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one (PubChem CID 124999583) has the molecular formula C21H20FN3O and a molecular weight of 349.41 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-1-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one.

Molecular Properties

Compound Name3-(2-fluorophenyl)-1-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one
PubChem CID124999583
Molecular FormulaC21H20FN3O
Molecular Weight349.41 g/mol
Exact Mass349.16
IUPAC Name3-(2-fluorophenyl)-1-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one
SMILESO=C(CCc1ccccc1F)N1Cc2nccn2C[C@@H]1c1ccccc1
InChIInChI=1S/C21H20FN3O/c22-18-9-5-4-6-16(18)10-11-21(26)25-15-20-23-12-13-24(20)14-19(25)17-7-2-1-3-8-17/h1-9,12-13,19H,10-11,14-15H2/t19-/m1/s1
InChIKeyRPTRHFQOOGNOOI-LJQANCHMSA-N
XLogP3.74
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluorophenyl)-1-[(6R)-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one
CID 124989150
2-methoxy-1-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone
CID 124973448
3-(3-methoxy-1,2-oxazol-5-yl)-1-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one
CID 125015168
2-(2-ethylimidazol-1-yl)-1-[(6R)-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone
CID 124954246
1-[(6R)-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-3-ylethanone
CID 124964544
(2,5-difluorophenyl)-(6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone
CID 110117656
(2-cyclopropylpyrimidin-5-yl)-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
CID 124973138
(5-methyl-1,3-oxazol-4-yl)-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
CID 124967482
(3-ethyl-1,2-oxazol-5-yl)-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
CID 124962333
(2,4-dimethyl-1,3-thiazol-5-yl)-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
CID 124992459
(6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 110117619
(1-ethyl-3-methylpyrazol-4-yl)-(6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone
CID 110117625

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-1-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one?
The IUPAC name of 3-(2-fluorophenyl)-1-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one (CID 124999583) is 3-(2-fluorophenyl)-1-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one.
What is the SMILES notation for 3-(2-fluorophenyl)-1-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one?
The canonical SMILES for 3-(2-fluorophenyl)-1-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one is O=C(CCc1ccccc1F)N1Cc2nccn2C[C@@H]1c1ccccc1.
What is the InChIKey of 3-(2-fluorophenyl)-1-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one?
The InChIKey is RPTRHFQOOGNOOI-LJQANCHMSA-N. The full InChI is InChI=1S/C21H20FN3O/c22-18-9-5-4-6-16(18)10-11-21(26)25-15-20-23-12-13-24(20)14-19(25)17-7-2-1-3-8-17/h1-9,12-13,19H,10-11,14-15H2/t19-/m1/s1.
What are the key properties of 3-(2-fluorophenyl)-1-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one?
3-(2-fluorophenyl)-1-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one has a molecular weight of 349.41 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-1-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one is sourced from PubChem (CID 124999583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).