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

C26H24FN5O2 — CID 24852340

IUPAC1-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-7-methyl-5,6-dihydroimidazo[1,5-a]pyrazin-8-one
SMILESCOc1cc(/C=C/c2nc(-c3ccc(F)cc3)c3n2CCN(C)C3=O)ccc1-n1cnc(C)c1
InChIInChI=1S/C26H24FN5O2/c1-17-15-31(16-28-17)21-10-4-18(14-22(21)34-3)5-11-23-29-24(19-6-8-20(27)9-7-19)25-26(33)30(2)12-13-32(23)25/h4-11,14-16H,12-13H2,1-3H3/b11-5+
InChIKeyBRJUDVYFCNBYMP-VZUCSPMQSA-N
MW457.51 g/mol
LogP4.45
Rot. Bonds5

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

1-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-7-methyl-5,6-dihydroimidazo[1,5-a]pyrazin-8-one (PubChem CID 24852340) has the molecular formula C26H24FN5O2 and a molecular weight of 457.51 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-7-methyl-5,6-dihydroimidazo[1,5-a]pyrazin-8-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-7-methyl-5,6-dihydroimidazo[1,5-a]pyrazin-8-one
PubChem CID24852340
Molecular FormulaC26H24FN5O2
Molecular Weight457.51 g/mol
Exact Mass457.19
IUPAC Name1-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-7-methyl-5,6-dihydroimidazo[1,5-a]pyrazin-8-one
SMILESCOc1cc(/C=C/c2nc(-c3ccc(F)cc3)c3n2CCN(C)C3=O)ccc1-n1cnc(C)c1
InChIInChI=1S/C26H24FN5O2/c1-17-15-31(16-28-17)21-10-4-18(14-22(21)34-3)5-11-23-29-24(19-6-8-20(27)9-7-19)25-26(33)30(2)12-13-32(23)25/h4-11,14-16H,12-13H2,1-3H3/b11-5+
InChIKeyBRJUDVYFCNBYMP-VZUCSPMQSA-N
XLogP4.45
TPSA65.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.51
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-7-methyl-5,6-dihydroimidazo[1,5-a]pyrazin-8-one?
The IUPAC name of 1-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-7-methyl-5,6-dihydroimidazo[1,5-a]pyrazin-8-one (CID 24852340) is 1-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-7-methyl-5,6-dihydroimidazo[1,5-a]pyrazin-8-one.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-7-methyl-5,6-dihydroimidazo[1,5-a]pyrazin-8-one?
The canonical SMILES for 1-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-7-methyl-5,6-dihydroimidazo[1,5-a]pyrazin-8-one is COc1cc(/C=C/c2nc(-c3ccc(F)cc3)c3n2CCN(C)C3=O)ccc1-n1cnc(C)c1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-7-methyl-5,6-dihydroimidazo[1,5-a]pyrazin-8-one?
The InChIKey is BRJUDVYFCNBYMP-VZUCSPMQSA-N. The full InChI is InChI=1S/C26H24FN5O2/c1-17-15-31(16-28-17)21-10-4-18(14-22(21)34-3)5-11-23-29-24(19-6-8-20(27)9-7-19)25-26(33)30(2)12-13-32(23)25/h4-11,14-16H,12-13H2,1-3H3/b11-5+.
What are the key properties of 1-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-7-methyl-5,6-dihydroimidazo[1,5-a]pyrazin-8-one?
1-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-7-methyl-5,6-dihydroimidazo[1,5-a]pyrazin-8-one has a molecular weight of 457.51 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-7-methyl-5,6-dihydroimidazo[1,5-a]pyrazin-8-one is sourced from PubChem (CID 24852340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).