8a-(4-fluorophenyl)-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-one

C25H24FN5O2 — CID 74394516

IUPAC8a-(4-fluorophenyl)-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-one
SMILESCOc1cc(C=CC2=NC(=O)C3(c4ccc(F)cc4)CNCCN23)ccc1-n1cnc(C)c1
InChIInChI=1S/C25H24FN5O2/c1-17-14-30(16-28-17)21-9-3-18(13-22(21)33-2)4-10-23-29-24(32)25(15-27-11-12-31(23)25)19-5-7-20(26)8-6-19/h3-10,13-14,16,27H,11-12,15H2,1-2H3
InChIKeyFJSNPAJVLAJFII-UHFFFAOYSA-N
MW445.50 g/mol
LogP3.08
Rot. Bonds5

About 8a-(4-fluorophenyl)-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-one

8a-(4-fluorophenyl)-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-one (PubChem CID 74394516) has the molecular formula C25H24FN5O2 and a molecular weight of 445.50 g/mol. Its IUPAC name is 8a-(4-fluorophenyl)-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-one.

Molecular Properties

Compound Name8a-(4-fluorophenyl)-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-one
PubChem CID74394516
Molecular FormulaC25H24FN5O2
Molecular Weight445.50 g/mol
Exact Mass445.19
IUPAC Name8a-(4-fluorophenyl)-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-one
SMILESCOc1cc(C=CC2=NC(=O)C3(c4ccc(F)cc4)CNCCN23)ccc1-n1cnc(C)c1
InChIInChI=1S/C25H24FN5O2/c1-17-14-30(16-28-17)21-9-3-18(13-22(21)33-2)4-10-23-29-24(32)25(15-27-11-12-31(23)25)19-5-7-20(26)8-6-19/h3-10,13-14,16,27H,11-12,15H2,1-2H3
InChIKeyFJSNPAJVLAJFII-UHFFFAOYSA-N
XLogP3.08
TPSA71.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8a-(4-fluorophenyl)-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-one with MolForge

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Related Compounds

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Narmafotinib
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CID 9869403
(E)-N-biphenyl-3-ylmethyl-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]acrylamide
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N-(5-{imidazo[1,2-a]pyrimidin-2-yl}-2-methoxyphenyl)-2-phenylacetamide
CID 16031820
(3E,6S,9aR)-3-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6-(3,4,5-trifluorophenyl)-2,6,7,8,9,9a-hexahydro-1H-quinolizin-4-one
CID 24781472
(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-imidazo[1,2-a]pyridine
CID 24852452
[(8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol
CID 25144288
(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine
CID 25145553
[(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol
CID 25145846
(6Z)-3-(4-fluorophenyl)-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,7-dihydro-2H-imidazo[1,2-a]imidazol-5-one
CID 25187263
2-amino-3-[(1S)-1-(4-fluorophenyl)ethyl]-5-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]pyrimidin-4-one
CID 25225345

Frequently Asked Questions

What is the IUPAC name of 8a-(4-fluorophenyl)-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-one?
The IUPAC name of 8a-(4-fluorophenyl)-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-one (CID 74394516) is 8a-(4-fluorophenyl)-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-one.
What is the SMILES notation for 8a-(4-fluorophenyl)-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-one?
The canonical SMILES for 8a-(4-fluorophenyl)-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-one is COc1cc(C=CC2=NC(=O)C3(c4ccc(F)cc4)CNCCN23)ccc1-n1cnc(C)c1.
What is the InChIKey of 8a-(4-fluorophenyl)-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-one?
The InChIKey is FJSNPAJVLAJFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O2/c1-17-14-30(16-28-17)21-9-3-18(13-22(21)33-2)4-10-23-29-24(32)25(15-27-11-12-31(23)25)19-5-7-20(26)8-6-19/h3-10,13-14,16,27H,11-12,15H2,1-2H3.
What are the key properties of 8a-(4-fluorophenyl)-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-one?
8a-(4-fluorophenyl)-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-one has a molecular weight of 445.50 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8a-(4-fluorophenyl)-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-one is sourced from PubChem (CID 74394516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).