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

C26H24FN5O — CID 58259738

IUPAC1-(4-fluorophenyl)-7-methyl-3-[(E)-2-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6-dihydroimidazo[1,5-a]pyrazin-8-one
SMILESCc1cn(-c2ccc(/C=C/c3nc(-c4ccc(F)cc4)c4n3CCN(C)C4=O)cc2C)cn1
InChIInChI=1S/C26H24FN5O/c1-17-14-19(4-10-22(17)31-15-18(2)28-16-31)5-11-23-29-24(20-6-8-21(27)9-7-20)25-26(33)30(3)12-13-32(23)25/h4-11,14-16H,12-13H2,1-3H3/b11-5+
InChIKeyQNNZGSPXYLCOOJ-VZUCSPMQSA-N
MW441.51 g/mol
LogP4.75
Rot. Bonds4

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

1-(4-fluorophenyl)-7-methyl-3-[(E)-2-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6-dihydroimidazo[1,5-a]pyrazin-8-one (PubChem CID 58259738) has the molecular formula C26H24FN5O and a molecular weight of 441.51 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-7-methyl-3-[(E)-2-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6-dihydroimidazo[1,5-a]pyrazin-8-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-7-methyl-3-[(E)-2-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6-dihydroimidazo[1,5-a]pyrazin-8-one
PubChem CID58259738
Molecular FormulaC26H24FN5O
Molecular Weight441.51 g/mol
Exact Mass441.20
IUPAC Name1-(4-fluorophenyl)-7-methyl-3-[(E)-2-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6-dihydroimidazo[1,5-a]pyrazin-8-one
SMILESCc1cn(-c2ccc(/C=C/c3nc(-c4ccc(F)cc4)c4n3CCN(C)C4=O)cc2C)cn1
InChIInChI=1S/C26H24FN5O/c1-17-14-19(4-10-22(17)31-15-18(2)28-16-31)5-11-23-29-24(20-6-8-21(27)9-7-20)25-26(33)30(3)12-13-32(23)25/h4-11,14-16H,12-13H2,1-3H3/b11-5+
InChIKeyQNNZGSPXYLCOOJ-VZUCSPMQSA-N
XLogP4.75
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(1S)-1-(4-fluorophenyl)ethyl]-4-methyl-5-[(E)-2-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1,2,4-triazole;3-[(1R)-1-(4-fluorophenyl)ethyl]-4-methyl-5-[(E)-2-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1,2,4-triazole
CID 160521184
(8S)-8-fluoro-8-(4-fluorophenyl)-2-[(E)-2-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine
CID 58259748
(8S)-8-(4-fluorophenyl)-2-[(E)-2-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile
CID 58259648
(2Z,5R)-5-(4-fluorophenyl)-2-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methylidene]-8-propyl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-3-one
CID 58102093
3-[(E)-2-(4-fluorophenyl)ethenyl]-5-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-methyl-1,2,4-triazole
CID 67607404
8a-(4-fluorophenyl)-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,8-dihydro-5H-[1,2,4]oxadiazolo[5,4-c][1,4]oxazine
CID 74389638
(5Z)-3-methyl-5-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2-sulfanylideneimidazolidin-1-id-4-one;yttrium
CID 58223196
(8R)-8-(3,5-difluorophenyl)-2-[(E)-2-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile
CID 58105085
(3E)-1-[(4S)-7-fluoro-3,4-dihydro-2H-chromen-4-yl]-3-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methylidene]piperidin-2-one
CID 58223191
N-(2-chloroethyl)-4-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1H-imidazole-5-carboxamide
CID 24852338
(8S)-2-[(E)-2-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-8-thiophen-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 58105068
4-(4-fluorophenyl)-3-(hydroxymethyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-2-one
CID 74394756

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-7-methyl-3-[(E)-2-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6-dihydroimidazo[1,5-a]pyrazin-8-one?
The IUPAC name of 1-(4-fluorophenyl)-7-methyl-3-[(E)-2-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6-dihydroimidazo[1,5-a]pyrazin-8-one (CID 58259738) is 1-(4-fluorophenyl)-7-methyl-3-[(E)-2-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6-dihydroimidazo[1,5-a]pyrazin-8-one.
What is the SMILES notation for 1-(4-fluorophenyl)-7-methyl-3-[(E)-2-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6-dihydroimidazo[1,5-a]pyrazin-8-one?
The canonical SMILES for 1-(4-fluorophenyl)-7-methyl-3-[(E)-2-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6-dihydroimidazo[1,5-a]pyrazin-8-one is Cc1cn(-c2ccc(/C=C/c3nc(-c4ccc(F)cc4)c4n3CCN(C)C4=O)cc2C)cn1.
What is the InChIKey of 1-(4-fluorophenyl)-7-methyl-3-[(E)-2-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6-dihydroimidazo[1,5-a]pyrazin-8-one?
The InChIKey is QNNZGSPXYLCOOJ-VZUCSPMQSA-N. The full InChI is InChI=1S/C26H24FN5O/c1-17-14-19(4-10-22(17)31-15-18(2)28-16-31)5-11-23-29-24(20-6-8-21(27)9-7-20)25-26(33)30(3)12-13-32(23)25/h4-11,14-16H,12-13H2,1-3H3/b11-5+.
What are the key properties of 1-(4-fluorophenyl)-7-methyl-3-[(E)-2-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6-dihydroimidazo[1,5-a]pyrazin-8-one?
1-(4-fluorophenyl)-7-methyl-3-[(E)-2-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6-dihydroimidazo[1,5-a]pyrazin-8-one has a molecular weight of 441.51 g/mol, XLogP of 4.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-7-methyl-3-[(E)-2-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6-dihydroimidazo[1,5-a]pyrazin-8-one is sourced from PubChem (CID 58259738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).