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

C51H50F2N10O4 — CID 158216119

IUPAC8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-7-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-one;8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-one
SMILESCOc1cc(/C=C/C2=NC(=O)C3(c4ccc(F)cc4)CN(C)CCN23)ccc1-n1cnc(C)c1.COc1cc(/C=C/C2=NC(=O)C3(c4ccc(F)cc4)CNCCN23)ccc1-n1cnc(C)c1
InChIInChI=1S/C26H26FN5O2.C25H24FN5O2/c1-18-15-31(17-28-18)22-10-4-19(14-23(22)34-3)5-11-24-29-25(33)26(16-30(2)12-13-32(24)26)20-6-8-21(27)9-7-20;1-17-14-30(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/h4-11,14-15,17H,12-13,16H2,1-3H3;3-10,13-14,16,27H,11-12,15H2,1-2H3/b11-5+;10-4+
InChIKeyGCQYFTHMIAHHBX-OAEODWKXSA-N
MW905.02 g/mol
LogP6.50
Rot. Bonds10

About 8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-7-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-one;8a-(4-fluorophenyl)-3-[(E)-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-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-7-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-one;8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-one (PubChem CID 158216119) has the molecular formula C51H50F2N10O4 and a molecular weight of 905.02 g/mol. Its IUPAC name is 8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-7-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-one;8a-(4-fluorophenyl)-3-[(E)-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-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-7-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-one;8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-one
PubChem CID158216119
Molecular FormulaC51H50F2N10O4
Molecular Weight905.02 g/mol
Exact Mass904.40
IUPAC Name8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-7-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-one;8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-one
SMILESCOc1cc(/C=C/C2=NC(=O)C3(c4ccc(F)cc4)CN(C)CCN23)ccc1-n1cnc(C)c1.COc1cc(/C=C/C2=NC(=O)C3(c4ccc(F)cc4)CNCCN23)ccc1-n1cnc(C)c1
InChIInChI=1S/C26H26FN5O2.C25H24FN5O2/c1-18-15-31(17-28-18)22-10-4-19(14-23(22)34-3)5-11-24-29-25(33)26(16-30(2)12-13-32(24)26)20-6-8-21(27)9-7-20;1-17-14-30(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/h4-11,14-15,17H,12-13,16H2,1-3H3;3-10,13-14,16,27H,11-12,15H2,1-2H3/b11-5+;10-4+
InChIKeyGCQYFTHMIAHHBX-OAEODWKXSA-N
XLogP6.50
TPSA134.71 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500905.02
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

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

N-(2,6-difluorophenyl)-3-{3-[2-({2-(methyloxy)-4-[3-(4-methyl-1-piperazinyl)propyl]phenyl}amino)-4-pyrimidinyl]imidazo[1,2-a]pyridin-2-yl}benzamide
CID 59452674
n-(2,6-Difluorophenyl)-3-[3-(2-{[2-(methyloxy)-4-(1-propyl-4-piperidinyl)phenyl]amino}-4-pyrimidinyl)imidazo[1,2-a]pyridin-2-yl]benzamide
CID 59452875
N-(2,6-difluorophenyl)-3-{3-[2-({2-(methyloxy)-4-[1-(2-methylpropyl)-4-piperidinyl]phenyl}amino)-4-pyrimidinyl]imidazo[1,2-a]pyridin-2-yl}benzamide
CID 59452922
(E)-(3S,8aS)-3-(2,6-difluoropyridin-3-yl)-6-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzylidene]hexahydroindolizin-5-one
CID 24780591
1-(4-fluorophenyl)-3-{(E)-2-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl]vinyl}-6,7-dihydro-5H-imidazo[1,5-a]pyrazin-8-one
CID 24852339
1-(4-fluorophenyl)-3-{(E)-2-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl]vinyl}-7-methyl-6,7-dihydro-5H-imidazo[1,5-a]pyrazin-8-one
CID 24852340
(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-N,N-dimethyl-6,7-dihydro-5H-imidazo[1,2-a]pyridine-2-carboxamide
CID 24852564
(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-N-methyl-6,7-dihydro-5H-imidazo[1,2-a]pyridine-2-carboxamide
CID 24852565
8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-1-one
CID 25141491
8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-one
CID 25141492
8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-7-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-one
CID 25141493
8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-one
CID 25142140

Frequently Asked Questions

What is the IUPAC name of 8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-7-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-one;8a-(4-fluorophenyl)-3-[(E)-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-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-7-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-one;8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-one (CID 158216119) is 8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-7-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-one;8a-(4-fluorophenyl)-3-[(E)-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-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-7-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-one;8a-(4-fluorophenyl)-3-[(E)-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-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-7-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-one;8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-one is COc1cc(/C=C/C2=NC(=O)C3(c4ccc(F)cc4)CN(C)CCN23)ccc1-n1cnc(C)c1.COc1cc(/C=C/C2=NC(=O)C3(c4ccc(F)cc4)CNCCN23)ccc1-n1cnc(C)c1.
What is the InChIKey of 8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-7-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-one;8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-one?
The InChIKey is GCQYFTHMIAHHBX-OAEODWKXSA-N. The full InChI is InChI=1S/C26H26FN5O2.C25H24FN5O2/c1-18-15-31(17-28-18)22-10-4-19(14-23(22)34-3)5-11-24-29-25(33)26(16-30(2)12-13-32(24)26)20-6-8-21(27)9-7-20;1-17-14-30(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/h4-11,14-15,17H,12-13,16H2,1-3H3;3-10,13-14,16,27H,11-12,15H2,1-2H3/b11-5+;10-4+.
What are the key properties of 8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-7-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-one;8a-(4-fluorophenyl)-3-[(E)-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-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-7-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-one;8a-(4-fluorophenyl)-3-[(E)-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 905.02 g/mol, XLogP of 6.50, 10 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-7-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-one;8a-(4-fluorophenyl)-3-[(E)-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 158216119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).