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

C25H22FN5O2 — CID 24852339

IUPAC1-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7-dihydro-5H-imidazo[1,5-a]pyrazin-8-one
SMILESCOc1cc(/C=C/c2nc(-c3ccc(F)cc3)c3n2CCNC3=O)ccc1-n1cnc(C)c1
InChIInChI=1S/C25H22FN5O2/c1-16-14-30(15-28-16)20-9-3-17(13-21(20)33-2)4-10-22-29-23(18-5-7-19(26)8-6-18)24-25(32)27-11-12-31(22)24/h3-10,13-15H,11-12H2,1-2H3,(H,27,32)/b10-4+
InChIKeyNTSFRWOCQNZBPE-ONNFQVAWSA-N
MW443.48 g/mol
LogP4.11
Rot. Bonds5

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

1-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7-dihydro-5H-imidazo[1,5-a]pyrazin-8-one (PubChem CID 24852339) has the molecular formula C25H22FN5O2 and a molecular weight of 443.48 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7-dihydro-5H-imidazo[1,5-a]pyrazin-8-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7-dihydro-5H-imidazo[1,5-a]pyrazin-8-one
PubChem CID24852339
Molecular FormulaC25H22FN5O2
Molecular Weight443.48 g/mol
Exact Mass443.18
IUPAC Name1-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7-dihydro-5H-imidazo[1,5-a]pyrazin-8-one
SMILESCOc1cc(/C=C/c2nc(-c3ccc(F)cc3)c3n2CCNC3=O)ccc1-n1cnc(C)c1
InChIInChI=1S/C25H22FN5O2/c1-16-14-30(15-28-16)20-9-3-17(13-21(20)33-2)4-10-22-29-23(18-5-7-19(26)8-6-18)24-25(32)27-11-12-31(22)24/h3-10,13-15H,11-12H2,1-2H3,(H,27,32)/b10-4+
InChIKeyNTSFRWOCQNZBPE-ONNFQVAWSA-N
XLogP4.11
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.48
LogP ≤ 54.11
H-Bond Donors ≤ 51
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]-6,7-dihydro-5H-imidazo[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]-6,7-dihydro-5H-imidazo[1,5-a]pyrazin-8-one (CID 24852339) is 1-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7-dihydro-5H-imidazo[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]-6,7-dihydro-5H-imidazo[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]-6,7-dihydro-5H-imidazo[1,5-a]pyrazin-8-one is COc1cc(/C=C/c2nc(-c3ccc(F)cc3)c3n2CCNC3=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]-6,7-dihydro-5H-imidazo[1,5-a]pyrazin-8-one?
The InChIKey is NTSFRWOCQNZBPE-ONNFQVAWSA-N. The full InChI is InChI=1S/C25H22FN5O2/c1-16-14-30(15-28-16)20-9-3-17(13-21(20)33-2)4-10-22-29-23(18-5-7-19(26)8-6-18)24-25(32)27-11-12-31(22)24/h3-10,13-15H,11-12H2,1-2H3,(H,27,32)/b10-4+.
What are the key properties of 1-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7-dihydro-5H-imidazo[1,5-a]pyrazin-8-one?
1-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7-dihydro-5H-imidazo[1,5-a]pyrazin-8-one has a molecular weight of 443.48 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 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]-6,7-dihydro-5H-imidazo[1,5-a]pyrazin-8-one is sourced from PubChem (CID 24852339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).