(9E)-4-(4-fluorophenyl)-3-hydroxy-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,4,7,8-tetrahydro-2H-pyrido[1,2-a]pyrimidin-6-one;(9E)-4-(4-fluorophenyl)-4-(hydroxymethyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2,3,7,8-tetrahydropyrido[1,2-a]pyrimidin-6-one;(9Z)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,4-dihydro-2H-pyrimido[2,1-c][1,4]oxazin-6-one;(9Z)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,7-dimethyl-2,3-dihydropyrimido[2,1-c][1,4]oxazin-6-one;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7-methyl-2,3,4,8-tetrahydropyrimido[1,2-c]pyrimidin-6-one;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,4,7,8-tetrahydro-2H-pyrimido[1,2-c]pyrimidin-6-one

C156H152F6N26O16 — CID 158055414

IUPAC(9E)-4-(4-fluorophenyl)-3-hydroxy-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,4,7,8-tetrahydro-2H-pyrido[1,2-a]pyrimidin-6-one;(9E)-4-(4-fluorophenyl)-4-(hydroxymethyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2,3,7,8-tetrahydropyrido[1,2-a]pyrimidin-6-one;(9Z)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,4-dihydro-2H-pyrimido[2,1-c][1,4]oxazin-6-one;(9Z)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,7-dimethyl-2,3-dihydropyrimido[2,1-c][1,4]oxazin-6-one;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7-methyl-2,3,4,8-tetrahydropyrimido[1,2-c]pyrimidin-6-one;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,4,7,8-tetrahydro-2H-pyrimido[1,2-c]pyrimidin-6-one
SMILESCOc1cc(/C=C2\CCC(=O)N3C2=NCC(O)C3c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCC(=O)N3C2=NCCC3(CO)c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CN(C)C(=O)N3C2=NCCC3c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CNC(=O)N3C2=NCCC3c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\OC(C)C(=O)N3C2=NCCC3(C)c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\OCC(=O)N3C2=NCCC3c2ccc(F)cc2)ccc1-n1cnc(C)c1
InChIInChI=1S/2C27H27FN4O3.C26H26FN5O2.C26H25FN4O3.C25H24FN5O2.C25H23FN4O3/c1-17-15-31(16-30-17)22-10-5-19(13-23(22)34-4)14-24-25-29-12-11-27(3,20-6-8-21(28)9-7-20)32(25)26(33)18(2)35-24;1-18-15-31(17-30-18)23-9-3-19(14-24(23)35-2)13-20-4-10-25(34)32-26(20)29-12-11-27(32,16-33)21-5-7-22(28)8-6-21;1-17-14-31(16-29-17)23-9-4-18(13-24(23)34-3)12-20-15-30(2)26(33)32-22(10-11-28-25(20)32)19-5-7-21(27)8-6-19;1-16-14-30(15-29-16)21-9-3-17(12-23(21)34-2)11-19-6-10-24(33)31-25(22(32)13-28-26(19)31)18-4-7-20(27)8-5-18;1-16-14-30(15-29-16)22-8-3-17(12-23(22)33-2)11-19-13-28-25(32)31-21(9-10-27-24(19)31)18-4-6-20(26)7-5-18;1-16-13-29(15-28-16)21-8-3-17(11-22(21)32-2)12-23-25-27-10-9-20(30(25)24(31)14-33-23)18-4-6-19(26)7-5-18/h5-10,13-16,18H,11-12H2,1-4H3;3,5-9,13-15,17,33H,4,10-12,16H2,1-2H3;4-9,12-14,16,22H,10-11,15H2,1-3H3;3-5,7-9,11-12,14-15,22,25,32H,6,10,13H2,1-2H3;3-8,11-12,14-15,21H,9-10,13H2,1-2H3,(H,28,32);3-8,11-13,15,20H,9-10,14H2,1-2H3/b24-14-;20-13+;20-12+;2*19-11+;23-12-
InChIKeyFJZJDBVTZOMSNZ-LSOPKQNASA-N
MW2761.09 g/mol
LogP25.48
Rot. Bonds25

About (9E)-4-(4-fluorophenyl)-3-hydroxy-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,4,7,8-tetrahydro-2H-pyrido[1,2-a]pyrimidin-6-one;(9E)-4-(4-fluorophenyl)-4-(hydroxymethyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2,3,7,8-tetrahydropyrido[1,2-a]pyrimidin-6-one;(9Z)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,4-dihydro-2H-pyrimido[2,1-c][1,4]oxazin-6-one;(9Z)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,7-dimethyl-2,3-dihydropyrimido[2,1-c][1,4]oxazin-6-one;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7-methyl-2,3,4,8-tetrahydropyrimido[1,2-c]pyrimidin-6-one;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,4,7,8-tetrahydro-2H-pyrimido[1,2-c]pyrimidin-6-one

(9E)-4-(4-fluorophenyl)-3-hydroxy-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,4,7,8-tetrahydro-2H-pyrido[1,2-a]pyrimidin-6-one;(9E)-4-(4-fluorophenyl)-4-(hydroxymethyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2,3,7,8-tetrahydropyrido[1,2-a]pyrimidin-6-one;(9Z)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,4-dihydro-2H-pyrimido[2,1-c][1,4]oxazin-6-one;(9Z)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,7-dimethyl-2,3-dihydropyrimido[2,1-c][1,4]oxazin-6-one;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7-methyl-2,3,4,8-tetrahydropyrimido[1,2-c]pyrimidin-6-one;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,4,7,8-tetrahydro-2H-pyrimido[1,2-c]pyrimidin-6-one (PubChem CID 158055414) has the molecular formula C156H152F6N26O16 and a molecular weight of 2761.09 g/mol. Its IUPAC name is (9E)-4-(4-fluorophenyl)-3-hydroxy-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,4,7,8-tetrahydro-2H-pyrido[1,2-a]pyrimidin-6-one;(9E)-4-(4-fluorophenyl)-4-(hydroxymethyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2,3,7,8-tetrahydropyrido[1,2-a]pyrimidin-6-one;(9Z)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,4-dihydro-2H-pyrimido[2,1-c][1,4]oxazin-6-one;(9Z)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,7-dimethyl-2,3-dihydropyrimido[2,1-c][1,4]oxazin-6-one;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7-methyl-2,3,4,8-tetrahydropyrimido[1,2-c]pyrimidin-6-one;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,4,7,8-tetrahydro-2H-pyrimido[1,2-c]pyrimidin-6-one.

Molecular Properties

Compound Name(9E)-4-(4-fluorophenyl)-3-hydroxy-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,4,7,8-tetrahydro-2H-pyrido[1,2-a]pyrimidin-6-one;(9E)-4-(4-fluorophenyl)-4-(hydroxymethyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2,3,7,8-tetrahydropyrido[1,2-a]pyrimidin-6-one;(9Z)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,4-dihydro-2H-pyrimido[2,1-c][1,4]oxazin-6-one;(9Z)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,7-dimethyl-2,3-dihydropyrimido[2,1-c][1,4]oxazin-6-one;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7-methyl-2,3,4,8-tetrahydropyrimido[1,2-c]pyrimidin-6-one;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,4,7,8-tetrahydro-2H-pyrimido[1,2-c]pyrimidin-6-one
PubChem CID158055414
Molecular FormulaC156H152F6N26O16
Molecular Weight2761.09 g/mol
Exact Mass2759.18
IUPAC Name(9E)-4-(4-fluorophenyl)-3-hydroxy-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,4,7,8-tetrahydro-2H-pyrido[1,2-a]pyrimidin-6-one;(9E)-4-(4-fluorophenyl)-4-(hydroxymethyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2,3,7,8-tetrahydropyrido[1,2-a]pyrimidin-6-one;(9Z)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,4-dihydro-2H-pyrimido[2,1-c][1,4]oxazin-6-one;(9Z)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,7-dimethyl-2,3-dihydropyrimido[2,1-c][1,4]oxazin-6-one;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7-methyl-2,3,4,8-tetrahydropyrimido[1,2-c]pyrimidin-6-one;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,4,7,8-tetrahydro-2H-pyrimido[1,2-c]pyrimidin-6-one
SMILESCOc1cc(/C=C2\CCC(=O)N3C2=NCC(O)C3c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCC(=O)N3C2=NCCC3(CO)c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CN(C)C(=O)N3C2=NCCC3c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CNC(=O)N3C2=NCCC3c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\OC(C)C(=O)N3C2=NCCC3(C)c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\OCC(=O)N3C2=NCCC3c2ccc(F)cc2)ccc1-n1cnc(C)c1
InChIInChI=1S/2C27H27FN4O3.C26H26FN5O2.C26H25FN4O3.C25H24FN5O2.C25H23FN4O3/c1-17-15-31(16-30-17)22-10-5-19(13-23(22)34-4)14-24-25-29-12-11-27(3,20-6-8-21(28)9-7-20)32(25)26(33)18(2)35-24;1-18-15-31(17-30-18)23-9-3-19(14-24(23)35-2)13-20-4-10-25(34)32-26(20)29-12-11-27(32,16-33)21-5-7-22(28)8-6-21;1-17-14-31(16-29-17)23-9-4-18(13-24(23)34-3)12-20-15-30(2)26(33)32-22(10-11-28-25(20)32)19-5-7-21(27)8-6-19;1-16-14-30(15-29-16)21-9-3-17(12-23(21)34-2)11-19-6-10-24(33)31-25(22(32)13-28-26(19)31)18-4-7-20(27)8-5-18;1-16-14-30(15-29-16)22-8-3-17(12-23(22)33-2)11-19-13-28-25(32)31-21(9-10-27-24(19)31)18-4-6-20(26)7-5-18;1-16-13-29(15-28-16)21-8-3-17(11-22(21)32-2)12-23-25-27-10-9-20(30(25)24(31)14-33-23)18-4-6-19(26)7-5-18/h5-10,13-16,18H,11-12H2,1-4H3;3,5-9,13-15,17,33H,4,10-12,16H2,1-2H3;4-9,12-14,16,22H,10-11,15H2,1-3H3;3-5,7-9,11-12,14-15,22,25,32H,6,10,13H2,1-2H3;3-8,11-12,14-15,21H,9-10,13H2,1-2H3,(H,28,32);3-8,11-13,15,20H,9-10,14H2,1-2H3/b24-14-;20-13+;20-12+;2*19-11+;23-12-
InChIKeyFJZJDBVTZOMSNZ-LSOPKQNASA-N
XLogP25.48
TPSA432.51 Ų
H-Bond Donors3
H-Bond Acceptors34
Rotatable Bonds25
Heavy Atoms204
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002761.09
LogP ≤ 525.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1034

Analyze (9E)-4-(4-fluorophenyl)-3-hydroxy-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,4,7,8-tetrahydro-2H-pyrido[1,2-a]pyrimidin-6-one;(9E)-4-(4-fluorophenyl)-4-(hydroxymethyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2,3,7,8-tetrahydropyrido[1,2-a]pyrimidin-6-one;(9Z)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,4-dihydro-2H-pyrimido[2,1-c][1,4]oxazin-6-one;(9Z)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,7-dimethyl-2,3-dihydropyrimido[2,1-c][1,4]oxazin-6-one;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7-methyl-2,3,4,8-tetrahydropyrimido[1,2-c]pyrimidin-6-one;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,4,7,8-tetrahydro-2H-pyrimido[1,2-c]pyrimidin-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (9E)-4-(4-fluorophenyl)-3-hydroxy-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,4,7,8-tetrahydro-2H-pyrido[1,2-a]pyrimidin-6-one;(9E)-4-(4-fluorophenyl)-4-(hydroxymethyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2,3,7,8-tetrahydropyrido[1,2-a]pyrimidin-6-one;(9Z)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,4-dihydro-2H-pyrimido[2,1-c][1,4]oxazin-6-one;(9Z)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,7-dimethyl-2,3-dihydropyrimido[2,1-c][1,4]oxazin-6-one;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7-methyl-2,3,4,8-tetrahydropyrimido[1,2-c]pyrimidin-6-one;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,4,7,8-tetrahydro-2H-pyrimido[1,2-c]pyrimidin-6-one?
The IUPAC name of (9E)-4-(4-fluorophenyl)-3-hydroxy-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,4,7,8-tetrahydro-2H-pyrido[1,2-a]pyrimidin-6-one;(9E)-4-(4-fluorophenyl)-4-(hydroxymethyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2,3,7,8-tetrahydropyrido[1,2-a]pyrimidin-6-one;(9Z)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,4-dihydro-2H-pyrimido[2,1-c][1,4]oxazin-6-one;(9Z)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,7-dimethyl-2,3-dihydropyrimido[2,1-c][1,4]oxazin-6-one;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7-methyl-2,3,4,8-tetrahydropyrimido[1,2-c]pyrimidin-6-one;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,4,7,8-tetrahydro-2H-pyrimido[1,2-c]pyrimidin-6-one (CID 158055414) is (9E)-4-(4-fluorophenyl)-3-hydroxy-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,4,7,8-tetrahydro-2H-pyrido[1,2-a]pyrimidin-6-one;(9E)-4-(4-fluorophenyl)-4-(hydroxymethyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2,3,7,8-tetrahydropyrido[1,2-a]pyrimidin-6-one;(9Z)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,4-dihydro-2H-pyrimido[2,1-c][1,4]oxazin-6-one;(9Z)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,7-dimethyl-2,3-dihydropyrimido[2,1-c][1,4]oxazin-6-one;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7-methyl-2,3,4,8-tetrahydropyrimido[1,2-c]pyrimidin-6-one;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,4,7,8-tetrahydro-2H-pyrimido[1,2-c]pyrimidin-6-one.
What is the SMILES notation for (9E)-4-(4-fluorophenyl)-3-hydroxy-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,4,7,8-tetrahydro-2H-pyrido[1,2-a]pyrimidin-6-one;(9E)-4-(4-fluorophenyl)-4-(hydroxymethyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2,3,7,8-tetrahydropyrido[1,2-a]pyrimidin-6-one;(9Z)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,4-dihydro-2H-pyrimido[2,1-c][1,4]oxazin-6-one;(9Z)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,7-dimethyl-2,3-dihydropyrimido[2,1-c][1,4]oxazin-6-one;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7-methyl-2,3,4,8-tetrahydropyrimido[1,2-c]pyrimidin-6-one;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,4,7,8-tetrahydro-2H-pyrimido[1,2-c]pyrimidin-6-one?
The canonical SMILES for (9E)-4-(4-fluorophenyl)-3-hydroxy-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,4,7,8-tetrahydro-2H-pyrido[1,2-a]pyrimidin-6-one;(9E)-4-(4-fluorophenyl)-4-(hydroxymethyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2,3,7,8-tetrahydropyrido[1,2-a]pyrimidin-6-one;(9Z)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,4-dihydro-2H-pyrimido[2,1-c][1,4]oxazin-6-one;(9Z)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,7-dimethyl-2,3-dihydropyrimido[2,1-c][1,4]oxazin-6-one;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7-methyl-2,3,4,8-tetrahydropyrimido[1,2-c]pyrimidin-6-one;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,4,7,8-tetrahydro-2H-pyrimido[1,2-c]pyrimidin-6-one is COc1cc(/C=C2\CCC(=O)N3C2=NCC(O)C3c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCC(=O)N3C2=NCCC3(CO)c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CN(C)C(=O)N3C2=NCCC3c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CNC(=O)N3C2=NCCC3c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\OC(C)C(=O)N3C2=NCCC3(C)c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\OCC(=O)N3C2=NCCC3c2ccc(F)cc2)ccc1-n1cnc(C)c1.
What is the InChIKey of (9E)-4-(4-fluorophenyl)-3-hydroxy-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,4,7,8-tetrahydro-2H-pyrido[1,2-a]pyrimidin-6-one;(9E)-4-(4-fluorophenyl)-4-(hydroxymethyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2,3,7,8-tetrahydropyrido[1,2-a]pyrimidin-6-one;(9Z)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,4-dihydro-2H-pyrimido[2,1-c][1,4]oxazin-6-one;(9Z)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,7-dimethyl-2,3-dihydropyrimido[2,1-c][1,4]oxazin-6-one;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7-methyl-2,3,4,8-tetrahydropyrimido[1,2-c]pyrimidin-6-one;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,4,7,8-tetrahydro-2H-pyrimido[1,2-c]pyrimidin-6-one?
The InChIKey is FJZJDBVTZOMSNZ-LSOPKQNASA-N. The full InChI is InChI=1S/2C27H27FN4O3.C26H26FN5O2.C26H25FN4O3.C25H24FN5O2.C25H23FN4O3/c1-17-15-31(16-30-17)22-10-5-19(13-23(22)34-4)14-24-25-29-12-11-27(3,20-6-8-21(28)9-7-20)32(25)26(33)18(2)35-24;1-18-15-31(17-30-18)23-9-3-19(14-24(23)35-2)13-20-4-10-25(34)32-26(20)29-12-11-27(32,16-33)21-5-7-22(28)8-6-21;1-17-14-31(16-29-17)23-9-4-18(13-24(23)34-3)12-20-15-30(2)26(33)32-22(10-11-28-25(20)32)19-5-7-21(27)8-6-19;1-16-14-30(15-29-16)21-9-3-17(12-23(21)34-2)11-19-6-10-24(33)31-25(22(32)13-28-26(19)31)18-4-7-20(27)8-5-18;1-16-14-30(15-29-16)22-8-3-17(12-23(22)33-2)11-19-13-28-25(32)31-21(9-10-27-24(19)31)18-4-6-20(26)7-5-18;1-16-13-29(15-28-16)21-8-3-17(11-22(21)32-2)12-23-25-27-10-9-20(30(25)24(31)14-33-23)18-4-6-19(26)7-5-18/h5-10,13-16,18H,11-12H2,1-4H3;3,5-9,13-15,17,33H,4,10-12,16H2,1-2H3;4-9,12-14,16,22H,10-11,15H2,1-3H3;3-5,7-9,11-12,14-15,22,25,32H,6,10,13H2,1-2H3;3-8,11-12,14-15,21H,9-10,13H2,1-2H3,(H,28,32);3-8,11-13,15,20H,9-10,14H2,1-2H3/b24-14-;20-13+;20-12+;2*19-11+;23-12-.
What are the key properties of (9E)-4-(4-fluorophenyl)-3-hydroxy-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,4,7,8-tetrahydro-2H-pyrido[1,2-a]pyrimidin-6-one;(9E)-4-(4-fluorophenyl)-4-(hydroxymethyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2,3,7,8-tetrahydropyrido[1,2-a]pyrimidin-6-one;(9Z)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,4-dihydro-2H-pyrimido[2,1-c][1,4]oxazin-6-one;(9Z)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,7-dimethyl-2,3-dihydropyrimido[2,1-c][1,4]oxazin-6-one;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7-methyl-2,3,4,8-tetrahydropyrimido[1,2-c]pyrimidin-6-one;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,4,7,8-tetrahydro-2H-pyrimido[1,2-c]pyrimidin-6-one?
(9E)-4-(4-fluorophenyl)-3-hydroxy-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,4,7,8-tetrahydro-2H-pyrido[1,2-a]pyrimidin-6-one;(9E)-4-(4-fluorophenyl)-4-(hydroxymethyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2,3,7,8-tetrahydropyrido[1,2-a]pyrimidin-6-one;(9Z)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,4-dihydro-2H-pyrimido[2,1-c][1,4]oxazin-6-one;(9Z)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,7-dimethyl-2,3-dihydropyrimido[2,1-c][1,4]oxazin-6-one;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7-methyl-2,3,4,8-tetrahydropyrimido[1,2-c]pyrimidin-6-one;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,4,7,8-tetrahydro-2H-pyrimido[1,2-c]pyrimidin-6-one has a molecular weight of 2761.09 g/mol, XLogP of 25.48, 25 rotatable bonds, 3 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for (9E)-4-(4-fluorophenyl)-3-hydroxy-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,4,7,8-tetrahydro-2H-pyrido[1,2-a]pyrimidin-6-one;(9E)-4-(4-fluorophenyl)-4-(hydroxymethyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2,3,7,8-tetrahydropyrido[1,2-a]pyrimidin-6-one;(9Z)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,4-dihydro-2H-pyrimido[2,1-c][1,4]oxazin-6-one;(9Z)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,7-dimethyl-2,3-dihydropyrimido[2,1-c][1,4]oxazin-6-one;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7-methyl-2,3,4,8-tetrahydropyrimido[1,2-c]pyrimidin-6-one;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,4,7,8-tetrahydro-2H-pyrimido[1,2-c]pyrimidin-6-one is sourced from PubChem (CID 158055414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).