(7E)-4-(3,4-difluorophenyl)-N-methoxy-7-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-1,2,3,8,9,9a-hexahydropyrido[1,2-a]pyrazin-6-imine;(7E)-4-(3,4-difluorophenyl)-N-methoxy-7-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-3,8,9,9a-tetrahydro-1H-pyrido[2,1-c][1,4]oxazin-6-imine;(7E)-4-(3,4-difluorophenyl)-7-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-3,8,9,9a-tetrahydro-1H-pyrido[2,1-c][1,4]oxazin-6-imine;(5Z)-3-[1-(4-fluorophenyl)ethyl]-4-imino-5-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-1,3-oxazinan-2-one;(7E)-N-methoxy-7-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-4-phenyl-2,3,8,9-tetrahydropyrido[1,2-a]pyrimidin-6-imine

C135H143F7N22O12 — CID 158873989

IUPAC(7E)-4-(3,4-difluorophenyl)-N-methoxy-7-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-1,2,3,8,9,9a-hexahydropyrido[1,2-a]pyrazin-6-imine;(7E)-4-(3,4-difluorophenyl)-N-methoxy-7-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-3,8,9,9a-tetrahydro-1H-pyrido[2,1-c][1,4]oxazin-6-imine;(7E)-4-(3,4-difluorophenyl)-7-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-3,8,9,9a-tetrahydro-1H-pyrido[2,1-c][1,4]oxazin-6-imine;(5Z)-3-[1-(4-fluorophenyl)ethyl]-4-imino-5-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-1,3-oxazinan-2-one;(7E)-N-methoxy-7-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-4-phenyl-2,3,8,9-tetrahydropyrido[1,2-a]pyrimidin-6-imine
SMILESCON=C1/C(=C/c2ccc(-n3cnc(C)c3)c(OC)c2)CCC2=NCCC(C)(c3ccccc3)N21.CON=C1/C(=C/c2ccc(-n3cnc(C)c3)c(OC)c2)CCC2CNCC(C)(c3ccc(F)c(F)c3)N12.CON=C1/C(=C/c2ccc(-n3cnc(C)c3)c(OC)c2)CCC2COCC(C)(c3ccc(F)c(F)c3)N12.[H]/N=C1C(=C\c2ccc(-n3cnc(C)c3)c(OC)c2)\CCC2COCC(C)(c3ccc(F)c(F)c3)N\12.[H]/N=C1C(=C\c2ccc(-n3cnc(C)c3)c(OC)c2)\COC(=O)N\1C(C)c1ccc(F)cc1
InChIInChI=1S/C28H31F2N5O2.C28H30F2N4O3.C28H31N5O2.C27H28F2N4O2.C24H23FN4O3/c1-18-15-34(17-32-18)25-10-5-19(12-26(25)36-3)11-20-6-8-22-14-31-16-28(2,35(22)27(20)33-37-4)21-7-9-23(29)24(30)13-21;1-18-14-33(17-31-18)25-10-5-19(12-26(25)35-3)11-20-6-8-22-15-37-16-28(2,34(22)27(20)32-36-4)21-7-9-23(29)24(30)13-21;1-20-18-32(19-30-20)24-12-10-21(17-25(24)34-3)16-22-11-13-26-29-15-14-28(2,23-8-6-5-7-9-23)33(26)27(22)31-35-4;1-17-13-32(16-31-17)24-9-4-18(11-25(24)34-3)10-19-5-7-21-14-35-15-27(2,33(21)26(19)30)20-6-8-22(28)23(29)12-20;1-15-12-28(14-27-15)21-9-4-17(11-22(21)31-3)10-19-13-32-24(30)29(23(19)26)16(2)18-5-7-20(25)8-6-18/h5,7,9-13,15,17,22,31H,6,8,14,16H2,1-4H3;5,7,9-14,17,22H,6,8,15-16H2,1-4H3;5-10,12,16-19H,11,13-15H2,1-4H3;4,6,8-13,16,21,30H,5,7,14-15H2,1-3H3;4-12,14,16,26H,13H2,1-3H3/b20-11+,33-27?;20-11+,32-27?;22-16+,31-27?;19-10+,30-26+;19-10+,26-23+
InChIKeyJCEWPZJDGVTVPB-CIZWPIMUSA-N
MW2398.76 g/mol
LogP25.50
Rot. Bonds24

About (7E)-4-(3,4-difluorophenyl)-N-methoxy-7-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-1,2,3,8,9,9a-hexahydropyrido[1,2-a]pyrazin-6-imine;(7E)-4-(3,4-difluorophenyl)-N-methoxy-7-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-3,8,9,9a-tetrahydro-1H-pyrido[2,1-c][1,4]oxazin-6-imine;(7E)-4-(3,4-difluorophenyl)-7-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-3,8,9,9a-tetrahydro-1H-pyrido[2,1-c][1,4]oxazin-6-imine;(5Z)-3-[1-(4-fluorophenyl)ethyl]-4-imino-5-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-1,3-oxazinan-2-one;(7E)-N-methoxy-7-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-4-phenyl-2,3,8,9-tetrahydropyrido[1,2-a]pyrimidin-6-imine

(7E)-4-(3,4-difluorophenyl)-N-methoxy-7-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-1,2,3,8,9,9a-hexahydropyrido[1,2-a]pyrazin-6-imine;(7E)-4-(3,4-difluorophenyl)-N-methoxy-7-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-3,8,9,9a-tetrahydro-1H-pyrido[2,1-c][1,4]oxazin-6-imine;(7E)-4-(3,4-difluorophenyl)-7-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-3,8,9,9a-tetrahydro-1H-pyrido[2,1-c][1,4]oxazin-6-imine;(5Z)-3-[1-(4-fluorophenyl)ethyl]-4-imino-5-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-1,3-oxazinan-2-one;(7E)-N-methoxy-7-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-4-phenyl-2,3,8,9-tetrahydropyrido[1,2-a]pyrimidin-6-imine (PubChem CID 158873989) has the molecular formula C135H143F7N22O12 and a molecular weight of 2398.76 g/mol. Its IUPAC name is (7E)-4-(3,4-difluorophenyl)-N-methoxy-7-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-1,2,3,8,9,9a-hexahydropyrido[1,2-a]pyrazin-6-imine;(7E)-4-(3,4-difluorophenyl)-N-methoxy-7-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-3,8,9,9a-tetrahydro-1H-pyrido[2,1-c][1,4]oxazin-6-imine;(7E)-4-(3,4-difluorophenyl)-7-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-3,8,9,9a-tetrahydro-1H-pyrido[2,1-c][1,4]oxazin-6-imine;(5Z)-3-[1-(4-fluorophenyl)ethyl]-4-imino-5-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-1,3-oxazinan-2-one;(7E)-N-methoxy-7-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-4-phenyl-2,3,8,9-tetrahydropyrido[1,2-a]pyrimidin-6-imine.

Molecular Properties

Compound Name(7E)-4-(3,4-difluorophenyl)-N-methoxy-7-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-1,2,3,8,9,9a-hexahydropyrido[1,2-a]pyrazin-6-imine;(7E)-4-(3,4-difluorophenyl)-N-methoxy-7-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-3,8,9,9a-tetrahydro-1H-pyrido[2,1-c][1,4]oxazin-6-imine;(7E)-4-(3,4-difluorophenyl)-7-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-3,8,9,9a-tetrahydro-1H-pyrido[2,1-c][1,4]oxazin-6-imine;(5Z)-3-[1-(4-fluorophenyl)ethyl]-4-imino-5-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-1,3-oxazinan-2-one;(7E)-N-methoxy-7-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-4-phenyl-2,3,8,9-tetrahydropyrido[1,2-a]pyrimidin-6-imine
PubChem CID158873989
Molecular FormulaC135H143F7N22O12
Molecular Weight2398.76 g/mol
Exact Mass2397.11
IUPAC Name(7E)-4-(3,4-difluorophenyl)-N-methoxy-7-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-1,2,3,8,9,9a-hexahydropyrido[1,2-a]pyrazin-6-imine;(7E)-4-(3,4-difluorophenyl)-N-methoxy-7-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-3,8,9,9a-tetrahydro-1H-pyrido[2,1-c][1,4]oxazin-6-imine;(7E)-4-(3,4-difluorophenyl)-7-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-3,8,9,9a-tetrahydro-1H-pyrido[2,1-c][1,4]oxazin-6-imine;(5Z)-3-[1-(4-fluorophenyl)ethyl]-4-imino-5-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-1,3-oxazinan-2-one;(7E)-N-methoxy-7-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-4-phenyl-2,3,8,9-tetrahydropyrido[1,2-a]pyrimidin-6-imine
SMILESCON=C1/C(=C/c2ccc(-n3cnc(C)c3)c(OC)c2)CCC2=NCCC(C)(c3ccccc3)N21.CON=C1/C(=C/c2ccc(-n3cnc(C)c3)c(OC)c2)CCC2CNCC(C)(c3ccc(F)c(F)c3)N12.CON=C1/C(=C/c2ccc(-n3cnc(C)c3)c(OC)c2)CCC2COCC(C)(c3ccc(F)c(F)c3)N12.[H]/N=C1C(=C\c2ccc(-n3cnc(C)c3)c(OC)c2)\CCC2COCC(C)(c3ccc(F)c(F)c3)N\12.[H]/N=C1C(=C\c2ccc(-n3cnc(C)c3)c(OC)c2)\COC(=O)N\1C(C)c1ccc(F)cc1
InChIInChI=1S/C28H31F2N5O2.C28H30F2N4O3.C28H31N5O2.C27H28F2N4O2.C24H23FN4O3/c1-18-15-34(17-32-18)25-10-5-19(12-26(25)36-3)11-20-6-8-22-14-31-16-28(2,35(22)27(20)33-37-4)21-7-9-23(29)24(30)13-21;1-18-14-33(17-31-18)25-10-5-19(12-26(25)35-3)11-20-6-8-22-15-37-16-28(2,34(22)27(20)32-36-4)21-7-9-23(29)24(30)13-21;1-20-18-32(19-30-20)24-12-10-21(17-25(24)34-3)16-22-11-13-26-29-15-14-28(2,23-8-6-5-7-9-23)33(26)27(22)31-35-4;1-17-13-32(16-31-17)24-9-4-18(11-25(24)34-3)10-19-5-7-21-14-35-15-27(2,33(21)26(19)30)20-6-8-22(28)23(29)12-20;1-15-12-28(14-27-15)21-9-4-17(11-22(21)31-3)10-19-13-32-24(30)29(23(19)26)16(2)18-5-7-20(25)8-6-18/h5,7,9-13,15,17,22,31H,6,8,14,16H2,1-4H3;5,7,9-14,17,22H,6,8,15-16H2,1-4H3;5-10,12,16-19H,11,13-15H2,1-4H3;4,6,8-13,16,21,30H,5,7,14-15H2,1-3H3;4-12,14,16,26H,13H2,1-3H3/b20-11+,33-27?;20-11+,32-27?;22-16+,31-27?;19-10+,30-26+;19-10+,26-23+
InChIKeyJCEWPZJDGVTVPB-CIZWPIMUSA-N
XLogP25.50
TPSA333.07 Ų
H-Bond Donors3
H-Bond Acceptors29
Rotatable Bonds24
Heavy Atoms176
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002398.76
LogP ≤ 525.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (7E)-4-(3,4-difluorophenyl)-N-methoxy-7-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-1,2,3,8,9,9a-hexahydropyrido[1,2-a]pyrazin-6-imine;(7E)-4-(3,4-difluorophenyl)-N-methoxy-7-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-3,8,9,9a-tetrahydro-1H-pyrido[2,1-c][1,4]oxazin-6-imine;(7E)-4-(3,4-difluorophenyl)-7-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-3,8,9,9a-tetrahydro-1H-pyrido[2,1-c][1,4]oxazin-6-imine;(5Z)-3-[1-(4-fluorophenyl)ethyl]-4-imino-5-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-1,3-oxazinan-2-one;(7E)-N-methoxy-7-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-4-phenyl-2,3,8,9-tetrahydropyrido[1,2-a]pyrimidin-6-imine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (7E)-4-(3,4-difluorophenyl)-N-methoxy-7-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-1,2,3,8,9,9a-hexahydropyrido[1,2-a]pyrazin-6-imine;(7E)-4-(3,4-difluorophenyl)-N-methoxy-7-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-3,8,9,9a-tetrahydro-1H-pyrido[2,1-c][1,4]oxazin-6-imine;(7E)-4-(3,4-difluorophenyl)-7-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-3,8,9,9a-tetrahydro-1H-pyrido[2,1-c][1,4]oxazin-6-imine;(5Z)-3-[1-(4-fluorophenyl)ethyl]-4-imino-5-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-1,3-oxazinan-2-one;(7E)-N-methoxy-7-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-4-phenyl-2,3,8,9-tetrahydropyrido[1,2-a]pyrimidin-6-imine?
The IUPAC name of (7E)-4-(3,4-difluorophenyl)-N-methoxy-7-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-1,2,3,8,9,9a-hexahydropyrido[1,2-a]pyrazin-6-imine;(7E)-4-(3,4-difluorophenyl)-N-methoxy-7-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-3,8,9,9a-tetrahydro-1H-pyrido[2,1-c][1,4]oxazin-6-imine;(7E)-4-(3,4-difluorophenyl)-7-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-3,8,9,9a-tetrahydro-1H-pyrido[2,1-c][1,4]oxazin-6-imine;(5Z)-3-[1-(4-fluorophenyl)ethyl]-4-imino-5-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-1,3-oxazinan-2-one;(7E)-N-methoxy-7-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-4-phenyl-2,3,8,9-tetrahydropyrido[1,2-a]pyrimidin-6-imine (CID 158873989) is (7E)-4-(3,4-difluorophenyl)-N-methoxy-7-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-1,2,3,8,9,9a-hexahydropyrido[1,2-a]pyrazin-6-imine;(7E)-4-(3,4-difluorophenyl)-N-methoxy-7-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-3,8,9,9a-tetrahydro-1H-pyrido[2,1-c][1,4]oxazin-6-imine;(7E)-4-(3,4-difluorophenyl)-7-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-3,8,9,9a-tetrahydro-1H-pyrido[2,1-c][1,4]oxazin-6-imine;(5Z)-3-[1-(4-fluorophenyl)ethyl]-4-imino-5-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-1,3-oxazinan-2-one;(7E)-N-methoxy-7-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-4-phenyl-2,3,8,9-tetrahydropyrido[1,2-a]pyrimidin-6-imine.
What is the SMILES notation for (7E)-4-(3,4-difluorophenyl)-N-methoxy-7-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-1,2,3,8,9,9a-hexahydropyrido[1,2-a]pyrazin-6-imine;(7E)-4-(3,4-difluorophenyl)-N-methoxy-7-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-3,8,9,9a-tetrahydro-1H-pyrido[2,1-c][1,4]oxazin-6-imine;(7E)-4-(3,4-difluorophenyl)-7-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-3,8,9,9a-tetrahydro-1H-pyrido[2,1-c][1,4]oxazin-6-imine;(5Z)-3-[1-(4-fluorophenyl)ethyl]-4-imino-5-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-1,3-oxazinan-2-one;(7E)-N-methoxy-7-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-4-phenyl-2,3,8,9-tetrahydropyrido[1,2-a]pyrimidin-6-imine?
The canonical SMILES for (7E)-4-(3,4-difluorophenyl)-N-methoxy-7-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-1,2,3,8,9,9a-hexahydropyrido[1,2-a]pyrazin-6-imine;(7E)-4-(3,4-difluorophenyl)-N-methoxy-7-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-3,8,9,9a-tetrahydro-1H-pyrido[2,1-c][1,4]oxazin-6-imine;(7E)-4-(3,4-difluorophenyl)-7-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-3,8,9,9a-tetrahydro-1H-pyrido[2,1-c][1,4]oxazin-6-imine;(5Z)-3-[1-(4-fluorophenyl)ethyl]-4-imino-5-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-1,3-oxazinan-2-one;(7E)-N-methoxy-7-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-4-phenyl-2,3,8,9-tetrahydropyrido[1,2-a]pyrimidin-6-imine is CON=C1/C(=C/c2ccc(-n3cnc(C)c3)c(OC)c2)CCC2=NCCC(C)(c3ccccc3)N21.CON=C1/C(=C/c2ccc(-n3cnc(C)c3)c(OC)c2)CCC2CNCC(C)(c3ccc(F)c(F)c3)N12.CON=C1/C(=C/c2ccc(-n3cnc(C)c3)c(OC)c2)CCC2COCC(C)(c3ccc(F)c(F)c3)N12.[H]/N=C1C(=C\c2ccc(-n3cnc(C)c3)c(OC)c2)\CCC2COCC(C)(c3ccc(F)c(F)c3)N\12.[H]/N=C1C(=C\c2ccc(-n3cnc(C)c3)c(OC)c2)\COC(=O)N\1C(C)c1ccc(F)cc1.
What is the InChIKey of (7E)-4-(3,4-difluorophenyl)-N-methoxy-7-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-1,2,3,8,9,9a-hexahydropyrido[1,2-a]pyrazin-6-imine;(7E)-4-(3,4-difluorophenyl)-N-methoxy-7-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-3,8,9,9a-tetrahydro-1H-pyrido[2,1-c][1,4]oxazin-6-imine;(7E)-4-(3,4-difluorophenyl)-7-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-3,8,9,9a-tetrahydro-1H-pyrido[2,1-c][1,4]oxazin-6-imine;(5Z)-3-[1-(4-fluorophenyl)ethyl]-4-imino-5-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-1,3-oxazinan-2-one;(7E)-N-methoxy-7-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-4-phenyl-2,3,8,9-tetrahydropyrido[1,2-a]pyrimidin-6-imine?
The InChIKey is JCEWPZJDGVTVPB-CIZWPIMUSA-N. The full InChI is InChI=1S/C28H31F2N5O2.C28H30F2N4O3.C28H31N5O2.C27H28F2N4O2.C24H23FN4O3/c1-18-15-34(17-32-18)25-10-5-19(12-26(25)36-3)11-20-6-8-22-14-31-16-28(2,35(22)27(20)33-37-4)21-7-9-23(29)24(30)13-21;1-18-14-33(17-31-18)25-10-5-19(12-26(25)35-3)11-20-6-8-22-15-37-16-28(2,34(22)27(20)32-36-4)21-7-9-23(29)24(30)13-21;1-20-18-32(19-30-20)24-12-10-21(17-25(24)34-3)16-22-11-13-26-29-15-14-28(2,23-8-6-5-7-9-23)33(26)27(22)31-35-4;1-17-13-32(16-31-17)24-9-4-18(11-25(24)34-3)10-19-5-7-21-14-35-15-27(2,33(21)26(19)30)20-6-8-22(28)23(29)12-20;1-15-12-28(14-27-15)21-9-4-17(11-22(21)31-3)10-19-13-32-24(30)29(23(19)26)16(2)18-5-7-20(25)8-6-18/h5,7,9-13,15,17,22,31H,6,8,14,16H2,1-4H3;5,7,9-14,17,22H,6,8,15-16H2,1-4H3;5-10,12,16-19H,11,13-15H2,1-4H3;4,6,8-13,16,21,30H,5,7,14-15H2,1-3H3;4-12,14,16,26H,13H2,1-3H3/b20-11+,33-27?;20-11+,32-27?;22-16+,31-27?;19-10+,30-26+;19-10+,26-23+.
What are the key properties of (7E)-4-(3,4-difluorophenyl)-N-methoxy-7-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-1,2,3,8,9,9a-hexahydropyrido[1,2-a]pyrazin-6-imine;(7E)-4-(3,4-difluorophenyl)-N-methoxy-7-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-3,8,9,9a-tetrahydro-1H-pyrido[2,1-c][1,4]oxazin-6-imine;(7E)-4-(3,4-difluorophenyl)-7-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-3,8,9,9a-tetrahydro-1H-pyrido[2,1-c][1,4]oxazin-6-imine;(5Z)-3-[1-(4-fluorophenyl)ethyl]-4-imino-5-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-1,3-oxazinan-2-one;(7E)-N-methoxy-7-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-4-phenyl-2,3,8,9-tetrahydropyrido[1,2-a]pyrimidin-6-imine?
(7E)-4-(3,4-difluorophenyl)-N-methoxy-7-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-1,2,3,8,9,9a-hexahydropyrido[1,2-a]pyrazin-6-imine;(7E)-4-(3,4-difluorophenyl)-N-methoxy-7-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-3,8,9,9a-tetrahydro-1H-pyrido[2,1-c][1,4]oxazin-6-imine;(7E)-4-(3,4-difluorophenyl)-7-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-3,8,9,9a-tetrahydro-1H-pyrido[2,1-c][1,4]oxazin-6-imine;(5Z)-3-[1-(4-fluorophenyl)ethyl]-4-imino-5-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-1,3-oxazinan-2-one;(7E)-N-methoxy-7-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-4-phenyl-2,3,8,9-tetrahydropyrido[1,2-a]pyrimidin-6-imine has a molecular weight of 2398.76 g/mol, XLogP of 25.50, 24 rotatable bonds, 3 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for (7E)-4-(3,4-difluorophenyl)-N-methoxy-7-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-1,2,3,8,9,9a-hexahydropyrido[1,2-a]pyrazin-6-imine;(7E)-4-(3,4-difluorophenyl)-N-methoxy-7-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-3,8,9,9a-tetrahydro-1H-pyrido[2,1-c][1,4]oxazin-6-imine;(7E)-4-(3,4-difluorophenyl)-7-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-3,8,9,9a-tetrahydro-1H-pyrido[2,1-c][1,4]oxazin-6-imine;(5Z)-3-[1-(4-fluorophenyl)ethyl]-4-imino-5-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-1,3-oxazinan-2-one;(7E)-N-methoxy-7-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-4-phenyl-2,3,8,9-tetrahydropyrido[1,2-a]pyrimidin-6-imine is sourced from PubChem (CID 158873989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).