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

C135H125F5N20O16 — CID 157304364

IUPAC(9E)-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;(9Z)-4-(4-fluorophenyl)-3-(hydroxymethyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydropyrimido[2,1-c][1,4]oxazin-2-one;(9E)-4-(4-fluorophenyl)-3-(hydroxymethyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-2-one;(9Z)-4-(4-fluorophenyl)-3-(hydroxymethyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7-methyl-6,7-dihydropyrimido[2,1-c][1,4]oxazin-2-one;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-2-one
SMILESCOc1cc(/C=C2\CC(C)Cn3c(-c4ccc(F)cc4)cc(=O)nc32)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CC(C)Cn3c2nc(=O)c(CO)c3-c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCCn3c2nc(=O)c(CO)c3-c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\OC(C)Cn3c2nc(=O)c(CO)c3-c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\OCCn3c2nc(=O)c(CO)c3-c2ccc(F)cc2)ccc1-n1cnc(C)c1
InChIInChI=1S/C28H27FN4O3.C27H25FN4O4.C27H25FN4O3.C27H25FN4O2.C26H23FN4O4/c1-17-10-21(11-19-4-9-24(25(12-19)36-3)32-14-18(2)30-16-32)27-31-28(35)23(15-34)26(33(27)13-17)20-5-7-22(29)8-6-20;1-16-12-31(15-29-16)22-9-4-18(10-23(22)35-3)11-24-26-30-27(34)21(14-33)25(32(26)13-17(2)36-24)19-5-7-20(28)8-6-19;1-17-14-31(16-29-17)23-10-5-18(13-24(23)35-2)12-20-4-3-11-32-25(19-6-8-21(28)9-7-19)22(15-33)27(34)30-26(20)32;1-17-10-21(11-19-4-9-23(25(12-19)34-3)31-15-18(2)29-16-31)27-30-26(33)13-24(32(27)14-17)20-5-7-22(28)8-6-20;1-16-13-30(15-28-16)21-8-3-17(11-22(21)34-2)12-23-25-29-26(33)20(14-32)24(31(25)9-10-35-23)18-4-6-19(27)7-5-18/h4-9,11-12,14,16-17,34H,10,13,15H2,1-3H3;4-12,15,17,33H,13-14H2,1-3H3;5-10,12-14,16,33H,3-4,11,15H2,1-2H3;4-9,11-13,15-17H,10,14H2,1-3H3;3-8,11-13,15,32H,9-10,14H2,1-2H3/b21-11+;24-11-;20-12+;21-11+;23-12-
InChIKeyBCGVRYNAEKXAFN-XVVPKCENSA-N
MW2378.60 g/mol
LogP21.67
Rot. Bonds24

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

(9E)-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;(9Z)-4-(4-fluorophenyl)-3-(hydroxymethyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydropyrimido[2,1-c][1,4]oxazin-2-one;(9E)-4-(4-fluorophenyl)-3-(hydroxymethyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-2-one;(9Z)-4-(4-fluorophenyl)-3-(hydroxymethyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7-methyl-6,7-dihydropyrimido[2,1-c][1,4]oxazin-2-one;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-2-one (PubChem CID 157304364) has the molecular formula C135H125F5N20O16 and a molecular weight of 2378.60 g/mol. Its IUPAC name is (9E)-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;(9Z)-4-(4-fluorophenyl)-3-(hydroxymethyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydropyrimido[2,1-c][1,4]oxazin-2-one;(9E)-4-(4-fluorophenyl)-3-(hydroxymethyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-2-one;(9Z)-4-(4-fluorophenyl)-3-(hydroxymethyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7-methyl-6,7-dihydropyrimido[2,1-c][1,4]oxazin-2-one;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-2-one.

Molecular Properties

Compound Name(9E)-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;(9Z)-4-(4-fluorophenyl)-3-(hydroxymethyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydropyrimido[2,1-c][1,4]oxazin-2-one;(9E)-4-(4-fluorophenyl)-3-(hydroxymethyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-2-one;(9Z)-4-(4-fluorophenyl)-3-(hydroxymethyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7-methyl-6,7-dihydropyrimido[2,1-c][1,4]oxazin-2-one;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-2-one
PubChem CID157304364
Molecular FormulaC135H125F5N20O16
Molecular Weight2378.60 g/mol
Exact Mass2376.95
IUPAC Name(9E)-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;(9Z)-4-(4-fluorophenyl)-3-(hydroxymethyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydropyrimido[2,1-c][1,4]oxazin-2-one;(9E)-4-(4-fluorophenyl)-3-(hydroxymethyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-2-one;(9Z)-4-(4-fluorophenyl)-3-(hydroxymethyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7-methyl-6,7-dihydropyrimido[2,1-c][1,4]oxazin-2-one;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-2-one
SMILESCOc1cc(/C=C2\CC(C)Cn3c(-c4ccc(F)cc4)cc(=O)nc32)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CC(C)Cn3c2nc(=O)c(CO)c3-c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCCn3c2nc(=O)c(CO)c3-c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\OC(C)Cn3c2nc(=O)c(CO)c3-c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\OCCn3c2nc(=O)c(CO)c3-c2ccc(F)cc2)ccc1-n1cnc(C)c1
InChIInChI=1S/C28H27FN4O3.C27H25FN4O4.C27H25FN4O3.C27H25FN4O2.C26H23FN4O4/c1-17-10-21(11-19-4-9-24(25(12-19)36-3)32-14-18(2)30-16-32)27-31-28(35)23(15-34)26(33(27)13-17)20-5-7-22(29)8-6-20;1-16-12-31(15-29-16)22-9-4-18(10-23(22)35-3)11-24-26-30-27(34)21(14-33)25(32(26)13-17(2)36-24)19-5-7-20(28)8-6-19;1-17-14-31(16-29-17)23-10-5-18(13-24(23)35-2)12-20-4-3-11-32-25(19-6-8-21(28)9-7-19)22(15-33)27(34)30-26(20)32;1-17-10-21(11-19-4-9-23(25(12-19)34-3)31-15-18(2)29-16-31)27-30-26(33)13-24(32(27)14-17)20-5-7-22(28)8-6-20;1-16-13-30(15-28-16)21-8-3-17(11-22(21)34-2)12-23-25-29-26(33)20(14-32)24(31(25)9-10-35-23)18-4-6-19(27)7-5-18/h4-9,11-12,14,16-17,34H,10,13,15H2,1-3H3;4-12,15,17,33H,13-14H2,1-3H3;5-10,12-14,16,33H,3-4,11,15H2,1-2H3;4-9,11-13,15-17H,10,14H2,1-3H3;3-8,11-13,15,32H,9-10,14H2,1-2H3/b21-11+;24-11-;20-12+;21-11+;23-12-
InChIKeyBCGVRYNAEKXAFN-XVVPKCENSA-N
XLogP21.67
TPSA409.08 Ų
H-Bond Donors4
H-Bond Acceptors36
Rotatable Bonds24
Heavy Atoms176
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002378.60
LogP ≤ 521.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1036

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

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Frequently Asked Questions

What is the IUPAC name of (9E)-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;(9Z)-4-(4-fluorophenyl)-3-(hydroxymethyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydropyrimido[2,1-c][1,4]oxazin-2-one;(9E)-4-(4-fluorophenyl)-3-(hydroxymethyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-2-one;(9Z)-4-(4-fluorophenyl)-3-(hydroxymethyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7-methyl-6,7-dihydropyrimido[2,1-c][1,4]oxazin-2-one;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-2-one?
The IUPAC name of (9E)-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;(9Z)-4-(4-fluorophenyl)-3-(hydroxymethyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydropyrimido[2,1-c][1,4]oxazin-2-one;(9E)-4-(4-fluorophenyl)-3-(hydroxymethyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-2-one;(9Z)-4-(4-fluorophenyl)-3-(hydroxymethyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7-methyl-6,7-dihydropyrimido[2,1-c][1,4]oxazin-2-one;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-2-one (CID 157304364) is (9E)-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;(9Z)-4-(4-fluorophenyl)-3-(hydroxymethyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydropyrimido[2,1-c][1,4]oxazin-2-one;(9E)-4-(4-fluorophenyl)-3-(hydroxymethyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-2-one;(9Z)-4-(4-fluorophenyl)-3-(hydroxymethyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7-methyl-6,7-dihydropyrimido[2,1-c][1,4]oxazin-2-one;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-2-one.
What is the SMILES notation for (9E)-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;(9Z)-4-(4-fluorophenyl)-3-(hydroxymethyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydropyrimido[2,1-c][1,4]oxazin-2-one;(9E)-4-(4-fluorophenyl)-3-(hydroxymethyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-2-one;(9Z)-4-(4-fluorophenyl)-3-(hydroxymethyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7-methyl-6,7-dihydropyrimido[2,1-c][1,4]oxazin-2-one;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-2-one?
The canonical SMILES for (9E)-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;(9Z)-4-(4-fluorophenyl)-3-(hydroxymethyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydropyrimido[2,1-c][1,4]oxazin-2-one;(9E)-4-(4-fluorophenyl)-3-(hydroxymethyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-2-one;(9Z)-4-(4-fluorophenyl)-3-(hydroxymethyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7-methyl-6,7-dihydropyrimido[2,1-c][1,4]oxazin-2-one;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-2-one is COc1cc(/C=C2\CC(C)Cn3c(-c4ccc(F)cc4)cc(=O)nc32)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CC(C)Cn3c2nc(=O)c(CO)c3-c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCCn3c2nc(=O)c(CO)c3-c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\OC(C)Cn3c2nc(=O)c(CO)c3-c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\OCCn3c2nc(=O)c(CO)c3-c2ccc(F)cc2)ccc1-n1cnc(C)c1.
What is the InChIKey of (9E)-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;(9Z)-4-(4-fluorophenyl)-3-(hydroxymethyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydropyrimido[2,1-c][1,4]oxazin-2-one;(9E)-4-(4-fluorophenyl)-3-(hydroxymethyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-2-one;(9Z)-4-(4-fluorophenyl)-3-(hydroxymethyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7-methyl-6,7-dihydropyrimido[2,1-c][1,4]oxazin-2-one;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-2-one?
The InChIKey is BCGVRYNAEKXAFN-XVVPKCENSA-N. The full InChI is InChI=1S/C28H27FN4O3.C27H25FN4O4.C27H25FN4O3.C27H25FN4O2.C26H23FN4O4/c1-17-10-21(11-19-4-9-24(25(12-19)36-3)32-14-18(2)30-16-32)27-31-28(35)23(15-34)26(33(27)13-17)20-5-7-22(29)8-6-20;1-16-12-31(15-29-16)22-9-4-18(10-23(22)35-3)11-24-26-30-27(34)21(14-33)25(32(26)13-17(2)36-24)19-5-7-20(28)8-6-19;1-17-14-31(16-29-17)23-10-5-18(13-24(23)35-2)12-20-4-3-11-32-25(19-6-8-21(28)9-7-19)22(15-33)27(34)30-26(20)32;1-17-10-21(11-19-4-9-23(25(12-19)34-3)31-15-18(2)29-16-31)27-30-26(33)13-24(32(27)14-17)20-5-7-22(28)8-6-20;1-16-13-30(15-28-16)21-8-3-17(11-22(21)34-2)12-23-25-29-26(33)20(14-32)24(31(25)9-10-35-23)18-4-6-19(27)7-5-18/h4-9,11-12,14,16-17,34H,10,13,15H2,1-3H3;4-12,15,17,33H,13-14H2,1-3H3;5-10,12-14,16,33H,3-4,11,15H2,1-2H3;4-9,11-13,15-17H,10,14H2,1-3H3;3-8,11-13,15,32H,9-10,14H2,1-2H3/b21-11+;24-11-;20-12+;21-11+;23-12-.
What are the key properties of (9E)-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;(9Z)-4-(4-fluorophenyl)-3-(hydroxymethyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydropyrimido[2,1-c][1,4]oxazin-2-one;(9E)-4-(4-fluorophenyl)-3-(hydroxymethyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-2-one;(9Z)-4-(4-fluorophenyl)-3-(hydroxymethyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7-methyl-6,7-dihydropyrimido[2,1-c][1,4]oxazin-2-one;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-2-one?
(9E)-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;(9Z)-4-(4-fluorophenyl)-3-(hydroxymethyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydropyrimido[2,1-c][1,4]oxazin-2-one;(9E)-4-(4-fluorophenyl)-3-(hydroxymethyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-2-one;(9Z)-4-(4-fluorophenyl)-3-(hydroxymethyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7-methyl-6,7-dihydropyrimido[2,1-c][1,4]oxazin-2-one;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-2-one has a molecular weight of 2378.60 g/mol, XLogP of 21.67, 24 rotatable bonds, 4 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for (9E)-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;(9Z)-4-(4-fluorophenyl)-3-(hydroxymethyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydropyrimido[2,1-c][1,4]oxazin-2-one;(9E)-4-(4-fluorophenyl)-3-(hydroxymethyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-2-one;(9Z)-4-(4-fluorophenyl)-3-(hydroxymethyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7-methyl-6,7-dihydropyrimido[2,1-c][1,4]oxazin-2-one;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-2-one is sourced from PubChem (CID 157304364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).