8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6-methyl-7,8-dihydro-1H-imidazo[1,5-c]pyrimidin-5-one;8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1,6,7,8-tetrahydroimidazo[1,5-c]pyrimidin-5-one;4a-(4-fluorophenyl)-8-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-3,4,5,6-tetrahydropyrimido[1,6-c][1,3]oxazin-1-one;4a-(4-fluorophenyl)-1-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-4,5,6,7-tetrahydro-3H-pyrimido[1,6-c]pyrimidin-8-one;1-[6-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6-methyl-4,5-dihydropyrimidin-1-yl]ethanone;1-[5-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5-methyl-4H-imidazol-1-yl]ethanone

C154H153F6N27O13 — CID 159896983

IUPAC8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6-methyl-7,8-dihydro-1H-imidazo[1,5-c]pyrimidin-5-one;8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1,6,7,8-tetrahydroimidazo[1,5-c]pyrimidin-5-one;4a-(4-fluorophenyl)-8-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-3,4,5,6-tetrahydropyrimido[1,6-c][1,3]oxazin-1-one;4a-(4-fluorophenyl)-1-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-4,5,6,7-tetrahydro-3H-pyrimido[1,6-c]pyrimidin-8-one;1-[6-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6-methyl-4,5-dihydropyrimidin-1-yl]ethanone;1-[5-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5-methyl-4H-imidazol-1-yl]ethanone
SMILESCOc1cc(/C=C/C2=NCC(C)(c3ccc(F)cc3)N2C(C)=O)ccc1-n1cnc(C)c1.COc1cc(/C=C/C2=NCC3(c4ccc(F)cc4)CCN(C)C(=O)N23)ccc1-n1cnc(C)c1.COc1cc(/C=C/C2=NCC3(c4ccc(F)cc4)CCNC(=O)N23)ccc1-n1cnc(C)c1.COc1cc(/C=C/C2=NCCC(C)(c3ccc(F)cc3)N2C(C)=O)ccc1-n1cnc(C)c1.COc1cc(/C=C/C2=NCCC3(c4ccc(F)cc4)CCNC(=O)N23)ccc1-n1cnc(C)c1.COc1cc(/C=C/C2=NCCC3(c4ccc(F)cc4)CCOC(=O)N23)ccc1-n1cnc(C)c1
InChIInChI=1S/2C26H26FN5O2.C26H25FN4O3.C26H27FN4O2.C25H24FN5O2.C25H25FN4O2/c1-18-15-31(17-29-18)22-10-4-19(14-23(22)34-3)5-11-24-28-16-26(20-6-8-21(27)9-7-20)12-13-30(2)25(33)32(24)26;1-18-16-31(17-30-18)22-9-3-19(15-23(22)34-2)4-10-24-28-13-11-26(12-14-29-25(33)32(24)26)20-5-7-21(27)8-6-20;1-18-16-30(17-29-18)22-9-3-19(15-23(22)33-2)4-10-24-28-13-11-26(12-14-34-25(32)31(24)26)20-5-7-21(27)8-6-20;1-18-16-30(17-29-18)23-11-5-20(15-24(23)33-4)6-12-25-28-14-13-26(3,31(25)19(2)32)21-7-9-22(27)10-8-21;1-17-14-30(16-29-17)21-9-3-18(13-22(21)33-2)4-10-23-28-15-25(11-12-27-24(32)31(23)25)19-5-7-20(26)8-6-19;1-17-14-29(16-28-17)22-11-5-19(13-23(22)32-4)6-12-24-27-15-25(3,30(24)18(2)31)20-7-9-21(26)10-8-20/h4-11,14-15,17H,12-13,16H2,1-3H3;3-10,15-17H,11-14H2,1-2H3,(H,29,33);3-10,15-17H,11-14H2,1-2H3;5-12,15-17H,13-14H2,1-4H3;3-10,13-14,16H,11-12,15H2,1-2H3,(H,27,32);5-14,16H,15H2,1-4H3/b11-5+;2*10-4+;12-6+;10-4+;12-6+
InChIKeyNVLURXYKTVOETA-QQZLJECCSA-N
MW2704.08 g/mol
LogP27.23
Rot. Bonds30

About 8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6-methyl-7,8-dihydro-1H-imidazo[1,5-c]pyrimidin-5-one;8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1,6,7,8-tetrahydroimidazo[1,5-c]pyrimidin-5-one;4a-(4-fluorophenyl)-8-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-3,4,5,6-tetrahydropyrimido[1,6-c][1,3]oxazin-1-one;4a-(4-fluorophenyl)-1-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-4,5,6,7-tetrahydro-3H-pyrimido[1,6-c]pyrimidin-8-one;1-[6-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6-methyl-4,5-dihydropyrimidin-1-yl]ethanone;1-[5-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5-methyl-4H-imidazol-1-yl]ethanone

8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6-methyl-7,8-dihydro-1H-imidazo[1,5-c]pyrimidin-5-one;8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1,6,7,8-tetrahydroimidazo[1,5-c]pyrimidin-5-one;4a-(4-fluorophenyl)-8-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-3,4,5,6-tetrahydropyrimido[1,6-c][1,3]oxazin-1-one;4a-(4-fluorophenyl)-1-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-4,5,6,7-tetrahydro-3H-pyrimido[1,6-c]pyrimidin-8-one;1-[6-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6-methyl-4,5-dihydropyrimidin-1-yl]ethanone;1-[5-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5-methyl-4H-imidazol-1-yl]ethanone (PubChem CID 159896983) has the molecular formula C154H153F6N27O13 and a molecular weight of 2704.08 g/mol. Its IUPAC name is 8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6-methyl-7,8-dihydro-1H-imidazo[1,5-c]pyrimidin-5-one;8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1,6,7,8-tetrahydroimidazo[1,5-c]pyrimidin-5-one;4a-(4-fluorophenyl)-8-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-3,4,5,6-tetrahydropyrimido[1,6-c][1,3]oxazin-1-one;4a-(4-fluorophenyl)-1-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-4,5,6,7-tetrahydro-3H-pyrimido[1,6-c]pyrimidin-8-one;1-[6-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6-methyl-4,5-dihydropyrimidin-1-yl]ethanone;1-[5-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5-methyl-4H-imidazol-1-yl]ethanone.

Molecular Properties

Compound Name8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6-methyl-7,8-dihydro-1H-imidazo[1,5-c]pyrimidin-5-one;8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1,6,7,8-tetrahydroimidazo[1,5-c]pyrimidin-5-one;4a-(4-fluorophenyl)-8-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-3,4,5,6-tetrahydropyrimido[1,6-c][1,3]oxazin-1-one;4a-(4-fluorophenyl)-1-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-4,5,6,7-tetrahydro-3H-pyrimido[1,6-c]pyrimidin-8-one;1-[6-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6-methyl-4,5-dihydropyrimidin-1-yl]ethanone;1-[5-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5-methyl-4H-imidazol-1-yl]ethanone
PubChem CID159896983
Molecular FormulaC154H153F6N27O13
Molecular Weight2704.08 g/mol
Exact Mass2702.20
IUPAC Name8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6-methyl-7,8-dihydro-1H-imidazo[1,5-c]pyrimidin-5-one;8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1,6,7,8-tetrahydroimidazo[1,5-c]pyrimidin-5-one;4a-(4-fluorophenyl)-8-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-3,4,5,6-tetrahydropyrimido[1,6-c][1,3]oxazin-1-one;4a-(4-fluorophenyl)-1-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-4,5,6,7-tetrahydro-3H-pyrimido[1,6-c]pyrimidin-8-one;1-[6-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6-methyl-4,5-dihydropyrimidin-1-yl]ethanone;1-[5-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5-methyl-4H-imidazol-1-yl]ethanone
SMILESCOc1cc(/C=C/C2=NCC(C)(c3ccc(F)cc3)N2C(C)=O)ccc1-n1cnc(C)c1.COc1cc(/C=C/C2=NCC3(c4ccc(F)cc4)CCN(C)C(=O)N23)ccc1-n1cnc(C)c1.COc1cc(/C=C/C2=NCC3(c4ccc(F)cc4)CCNC(=O)N23)ccc1-n1cnc(C)c1.COc1cc(/C=C/C2=NCCC(C)(c3ccc(F)cc3)N2C(C)=O)ccc1-n1cnc(C)c1.COc1cc(/C=C/C2=NCCC3(c4ccc(F)cc4)CCNC(=O)N23)ccc1-n1cnc(C)c1.COc1cc(/C=C/C2=NCCC3(c4ccc(F)cc4)CCOC(=O)N23)ccc1-n1cnc(C)c1
InChIInChI=1S/2C26H26FN5O2.C26H25FN4O3.C26H27FN4O2.C25H24FN5O2.C25H25FN4O2/c1-18-15-31(17-29-18)22-10-4-19(14-23(22)34-3)5-11-24-28-16-26(20-6-8-21(27)9-7-20)12-13-30(2)25(33)32(24)26;1-18-16-31(17-30-18)22-9-3-19(15-23(22)34-2)4-10-24-28-13-11-26(12-14-29-25(33)32(24)26)20-5-7-21(27)8-6-20;1-18-16-30(17-29-18)22-9-3-19(15-23(22)33-2)4-10-24-28-13-11-26(12-14-34-25(32)31(24)26)20-5-7-21(27)8-6-20;1-18-16-30(17-29-18)23-11-5-20(15-24(23)33-4)6-12-25-28-14-13-26(3,31(25)19(2)32)21-7-9-22(27)10-8-21;1-17-14-30(16-29-17)21-9-3-18(13-22(21)33-2)4-10-23-28-15-25(11-12-27-24(32)31(23)25)19-5-7-20(26)8-6-19;1-17-14-29(16-28-17)22-11-5-19(13-23(22)32-4)6-12-24-27-15-25(3,30(24)18(2)31)20-7-9-21(26)10-8-20/h4-11,14-15,17H,12-13,16H2,1-3H3;3-10,15-17H,11-14H2,1-2H3,(H,29,33);3-10,15-17H,11-14H2,1-2H3;5-12,15-17H,13-14H2,1-4H3;3-10,13-14,16H,11-12,15H2,1-2H3,(H,27,32);5-14,16H,15H2,1-4H3/b11-5+;2*10-4+;12-6+;10-4+;12-6+
InChIKeyNVLURXYKTVOETA-QQZLJECCSA-N
XLogP27.23
TPSA394.85 Ų
H-Bond Donors2
H-Bond Acceptors31
Rotatable Bonds30
Heavy Atoms200
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002704.08
LogP ≤ 527.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1031

Analyze 8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6-methyl-7,8-dihydro-1H-imidazo[1,5-c]pyrimidin-5-one;8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1,6,7,8-tetrahydroimidazo[1,5-c]pyrimidin-5-one;4a-(4-fluorophenyl)-8-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-3,4,5,6-tetrahydropyrimido[1,6-c][1,3]oxazin-1-one;4a-(4-fluorophenyl)-1-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-4,5,6,7-tetrahydro-3H-pyrimido[1,6-c]pyrimidin-8-one;1-[6-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6-methyl-4,5-dihydropyrimidin-1-yl]ethanone;1-[5-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5-methyl-4H-imidazol-1-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6-methyl-7,8-dihydro-1H-imidazo[1,5-c]pyrimidin-5-one;8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1,6,7,8-tetrahydroimidazo[1,5-c]pyrimidin-5-one;4a-(4-fluorophenyl)-8-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-3,4,5,6-tetrahydropyrimido[1,6-c][1,3]oxazin-1-one;4a-(4-fluorophenyl)-1-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-4,5,6,7-tetrahydro-3H-pyrimido[1,6-c]pyrimidin-8-one;1-[6-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6-methyl-4,5-dihydropyrimidin-1-yl]ethanone;1-[5-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5-methyl-4H-imidazol-1-yl]ethanone?
The IUPAC name of 8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6-methyl-7,8-dihydro-1H-imidazo[1,5-c]pyrimidin-5-one;8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1,6,7,8-tetrahydroimidazo[1,5-c]pyrimidin-5-one;4a-(4-fluorophenyl)-8-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-3,4,5,6-tetrahydropyrimido[1,6-c][1,3]oxazin-1-one;4a-(4-fluorophenyl)-1-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-4,5,6,7-tetrahydro-3H-pyrimido[1,6-c]pyrimidin-8-one;1-[6-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6-methyl-4,5-dihydropyrimidin-1-yl]ethanone;1-[5-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5-methyl-4H-imidazol-1-yl]ethanone (CID 159896983) is 8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6-methyl-7,8-dihydro-1H-imidazo[1,5-c]pyrimidin-5-one;8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1,6,7,8-tetrahydroimidazo[1,5-c]pyrimidin-5-one;4a-(4-fluorophenyl)-8-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-3,4,5,6-tetrahydropyrimido[1,6-c][1,3]oxazin-1-one;4a-(4-fluorophenyl)-1-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-4,5,6,7-tetrahydro-3H-pyrimido[1,6-c]pyrimidin-8-one;1-[6-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6-methyl-4,5-dihydropyrimidin-1-yl]ethanone;1-[5-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5-methyl-4H-imidazol-1-yl]ethanone.
What is the SMILES notation for 8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6-methyl-7,8-dihydro-1H-imidazo[1,5-c]pyrimidin-5-one;8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1,6,7,8-tetrahydroimidazo[1,5-c]pyrimidin-5-one;4a-(4-fluorophenyl)-8-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-3,4,5,6-tetrahydropyrimido[1,6-c][1,3]oxazin-1-one;4a-(4-fluorophenyl)-1-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-4,5,6,7-tetrahydro-3H-pyrimido[1,6-c]pyrimidin-8-one;1-[6-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6-methyl-4,5-dihydropyrimidin-1-yl]ethanone;1-[5-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5-methyl-4H-imidazol-1-yl]ethanone?
The canonical SMILES for 8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6-methyl-7,8-dihydro-1H-imidazo[1,5-c]pyrimidin-5-one;8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1,6,7,8-tetrahydroimidazo[1,5-c]pyrimidin-5-one;4a-(4-fluorophenyl)-8-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-3,4,5,6-tetrahydropyrimido[1,6-c][1,3]oxazin-1-one;4a-(4-fluorophenyl)-1-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-4,5,6,7-tetrahydro-3H-pyrimido[1,6-c]pyrimidin-8-one;1-[6-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6-methyl-4,5-dihydropyrimidin-1-yl]ethanone;1-[5-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5-methyl-4H-imidazol-1-yl]ethanone is COc1cc(/C=C/C2=NCC(C)(c3ccc(F)cc3)N2C(C)=O)ccc1-n1cnc(C)c1.COc1cc(/C=C/C2=NCC3(c4ccc(F)cc4)CCN(C)C(=O)N23)ccc1-n1cnc(C)c1.COc1cc(/C=C/C2=NCC3(c4ccc(F)cc4)CCNC(=O)N23)ccc1-n1cnc(C)c1.COc1cc(/C=C/C2=NCCC(C)(c3ccc(F)cc3)N2C(C)=O)ccc1-n1cnc(C)c1.COc1cc(/C=C/C2=NCCC3(c4ccc(F)cc4)CCNC(=O)N23)ccc1-n1cnc(C)c1.COc1cc(/C=C/C2=NCCC3(c4ccc(F)cc4)CCOC(=O)N23)ccc1-n1cnc(C)c1.
What is the InChIKey of 8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6-methyl-7,8-dihydro-1H-imidazo[1,5-c]pyrimidin-5-one;8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1,6,7,8-tetrahydroimidazo[1,5-c]pyrimidin-5-one;4a-(4-fluorophenyl)-8-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-3,4,5,6-tetrahydropyrimido[1,6-c][1,3]oxazin-1-one;4a-(4-fluorophenyl)-1-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-4,5,6,7-tetrahydro-3H-pyrimido[1,6-c]pyrimidin-8-one;1-[6-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6-methyl-4,5-dihydropyrimidin-1-yl]ethanone;1-[5-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5-methyl-4H-imidazol-1-yl]ethanone?
The InChIKey is NVLURXYKTVOETA-QQZLJECCSA-N. The full InChI is InChI=1S/2C26H26FN5O2.C26H25FN4O3.C26H27FN4O2.C25H24FN5O2.C25H25FN4O2/c1-18-15-31(17-29-18)22-10-4-19(14-23(22)34-3)5-11-24-28-16-26(20-6-8-21(27)9-7-20)12-13-30(2)25(33)32(24)26;1-18-16-31(17-30-18)22-9-3-19(15-23(22)34-2)4-10-24-28-13-11-26(12-14-29-25(33)32(24)26)20-5-7-21(27)8-6-20;1-18-16-30(17-29-18)22-9-3-19(15-23(22)33-2)4-10-24-28-13-11-26(12-14-34-25(32)31(24)26)20-5-7-21(27)8-6-20;1-18-16-30(17-29-18)23-11-5-20(15-24(23)33-4)6-12-25-28-14-13-26(3,31(25)19(2)32)21-7-9-22(27)10-8-21;1-17-14-30(16-29-17)21-9-3-18(13-22(21)33-2)4-10-23-28-15-25(11-12-27-24(32)31(23)25)19-5-7-20(26)8-6-19;1-17-14-29(16-28-17)22-11-5-19(13-23(22)32-4)6-12-24-27-15-25(3,30(24)18(2)31)20-7-9-21(26)10-8-20/h4-11,14-15,17H,12-13,16H2,1-3H3;3-10,15-17H,11-14H2,1-2H3,(H,29,33);3-10,15-17H,11-14H2,1-2H3;5-12,15-17H,13-14H2,1-4H3;3-10,13-14,16H,11-12,15H2,1-2H3,(H,27,32);5-14,16H,15H2,1-4H3/b11-5+;2*10-4+;12-6+;10-4+;12-6+.
What are the key properties of 8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6-methyl-7,8-dihydro-1H-imidazo[1,5-c]pyrimidin-5-one;8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1,6,7,8-tetrahydroimidazo[1,5-c]pyrimidin-5-one;4a-(4-fluorophenyl)-8-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-3,4,5,6-tetrahydropyrimido[1,6-c][1,3]oxazin-1-one;4a-(4-fluorophenyl)-1-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-4,5,6,7-tetrahydro-3H-pyrimido[1,6-c]pyrimidin-8-one;1-[6-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6-methyl-4,5-dihydropyrimidin-1-yl]ethanone;1-[5-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5-methyl-4H-imidazol-1-yl]ethanone?
8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6-methyl-7,8-dihydro-1H-imidazo[1,5-c]pyrimidin-5-one;8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1,6,7,8-tetrahydroimidazo[1,5-c]pyrimidin-5-one;4a-(4-fluorophenyl)-8-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-3,4,5,6-tetrahydropyrimido[1,6-c][1,3]oxazin-1-one;4a-(4-fluorophenyl)-1-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-4,5,6,7-tetrahydro-3H-pyrimido[1,6-c]pyrimidin-8-one;1-[6-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6-methyl-4,5-dihydropyrimidin-1-yl]ethanone;1-[5-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5-methyl-4H-imidazol-1-yl]ethanone has a molecular weight of 2704.08 g/mol, XLogP of 27.23, 30 rotatable bonds, 2 hydrogen bond donors, and 31 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]-6-methyl-7,8-dihydro-1H-imidazo[1,5-c]pyrimidin-5-one;8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1,6,7,8-tetrahydroimidazo[1,5-c]pyrimidin-5-one;4a-(4-fluorophenyl)-8-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-3,4,5,6-tetrahydropyrimido[1,6-c][1,3]oxazin-1-one;4a-(4-fluorophenyl)-1-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-4,5,6,7-tetrahydro-3H-pyrimido[1,6-c]pyrimidin-8-one;1-[6-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6-methyl-4,5-dihydropyrimidin-1-yl]ethanone;1-[5-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5-methyl-4H-imidazol-1-yl]ethanone is sourced from PubChem (CID 159896983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).