1-[(9E)-4-(3,4-difluoro-5-methylphenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7-methyl-3,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazin-4-yl]ethanol;(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-4-(4-methylphenyl)-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;(9Z)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(4-methylphenyl)-3,4,6,7-tetrahydro-[1,4]oxazino[3,4-c][1,2,4]oxadiazine;1-[(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(4-methylphenyl)-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-3-yl]ethanol;[(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(4-methylphenyl)-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-3-yl]methanol

C136H150F2N20O14 — CID 158538421

IUPAC1-[(9E)-4-(3,4-difluoro-5-methylphenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7-methyl-3,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazin-4-yl]ethanol;(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-4-(4-methylphenyl)-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;(9Z)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(4-methylphenyl)-3,4,6,7-tetrahydro-[1,4]oxazino[3,4-c][1,2,4]oxadiazine;1-[(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(4-methylphenyl)-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-3-yl]ethanol;[(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(4-methylphenyl)-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-3-yl]methanol
SMILESCOc1cc(/C=C2\CC(C)CN3C2=NOCC3(c2cc(C)c(F)c(F)c2)C(C)O)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCCN3C2=NOC(C(C)O)C3c2ccc(C)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCCN3C2=NOC(C)C3c2ccc(C)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCCN3C2=NOC(CO)C3c2ccc(C)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\OCCN3C2=NOCC3c2ccc(C)cc2)ccc1-n1cnc(C)c1
InChIInChI=1S/C29H32F2N4O3.C28H32N4O3.C27H30N4O3.C27H30N4O2.C25H26N4O3/c1-17-8-22(10-21-6-7-25(26(11-21)37-5)34-14-19(3)32-16-34)28-33-38-15-29(20(4)36,35(28)13-17)23-9-18(2)27(31)24(30)12-23;1-18-7-10-22(11-8-18)26-27(20(3)33)35-30-28-23(6-5-13-32(26)28)14-21-9-12-24(25(15-21)34-4)31-16-19(2)29-17-31;1-18-6-9-21(10-7-18)26-25(16-32)34-29-27-22(5-4-12-31(26)27)13-20-8-11-23(24(14-20)33-3)30-15-19(2)28-17-30;1-18-7-10-22(11-8-18)26-20(3)33-29-27-23(6-5-13-31(26)27)14-21-9-12-24(25(15-21)32-4)30-16-19(2)28-17-30;1-17-4-7-20(8-5-17)22-15-32-27-25-24(31-11-10-29(22)25)13-19-6-9-21(23(12-19)30-3)28-14-18(2)26-16-28/h6-7,9-12,14,16-17,20,36H,8,13,15H2,1-5H3;7-12,14-17,20,26-27,33H,5-6,13H2,1-4H3;6-11,13-15,17,25-26,32H,4-5,12,16H2,1-3H3;7-12,14-17,20,26H,5-6,13H2,1-4H3;4-9,12-14,16,22H,10-11,15H2,1-3H3/b22-10+;23-14+;22-13+;23-14+;24-13-
InChIKeyHOFKQNJGDTWQSH-AECNMMGMSA-N
MW2326.82 g/mol
LogP24.06
Rot. Bonds23

About 1-[(9E)-4-(3,4-difluoro-5-methylphenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7-methyl-3,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazin-4-yl]ethanol;(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-4-(4-methylphenyl)-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;(9Z)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(4-methylphenyl)-3,4,6,7-tetrahydro-[1,4]oxazino[3,4-c][1,2,4]oxadiazine;1-[(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(4-methylphenyl)-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-3-yl]ethanol;[(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(4-methylphenyl)-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-3-yl]methanol

1-[(9E)-4-(3,4-difluoro-5-methylphenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7-methyl-3,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazin-4-yl]ethanol;(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-4-(4-methylphenyl)-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;(9Z)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(4-methylphenyl)-3,4,6,7-tetrahydro-[1,4]oxazino[3,4-c][1,2,4]oxadiazine;1-[(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(4-methylphenyl)-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-3-yl]ethanol;[(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(4-methylphenyl)-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-3-yl]methanol (PubChem CID 158538421) has the molecular formula C136H150F2N20O14 and a molecular weight of 2326.82 g/mol. Its IUPAC name is 1-[(9E)-4-(3,4-difluoro-5-methylphenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7-methyl-3,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazin-4-yl]ethanol;(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-4-(4-methylphenyl)-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;(9Z)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(4-methylphenyl)-3,4,6,7-tetrahydro-[1,4]oxazino[3,4-c][1,2,4]oxadiazine;1-[(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(4-methylphenyl)-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-3-yl]ethanol;[(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(4-methylphenyl)-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-3-yl]methanol.

Molecular Properties

Compound Name1-[(9E)-4-(3,4-difluoro-5-methylphenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7-methyl-3,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazin-4-yl]ethanol;(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-4-(4-methylphenyl)-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;(9Z)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(4-methylphenyl)-3,4,6,7-tetrahydro-[1,4]oxazino[3,4-c][1,2,4]oxadiazine;1-[(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(4-methylphenyl)-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-3-yl]ethanol;[(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(4-methylphenyl)-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-3-yl]methanol
PubChem CID158538421
Molecular FormulaC136H150F2N20O14
Molecular Weight2326.82 g/mol
Exact Mass2325.16
IUPAC Name1-[(9E)-4-(3,4-difluoro-5-methylphenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7-methyl-3,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazin-4-yl]ethanol;(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-4-(4-methylphenyl)-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;(9Z)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(4-methylphenyl)-3,4,6,7-tetrahydro-[1,4]oxazino[3,4-c][1,2,4]oxadiazine;1-[(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(4-methylphenyl)-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-3-yl]ethanol;[(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(4-methylphenyl)-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-3-yl]methanol
SMILESCOc1cc(/C=C2\CC(C)CN3C2=NOCC3(c2cc(C)c(F)c(F)c2)C(C)O)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCCN3C2=NOC(C(C)O)C3c2ccc(C)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCCN3C2=NOC(C)C3c2ccc(C)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCCN3C2=NOC(CO)C3c2ccc(C)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\OCCN3C2=NOCC3c2ccc(C)cc2)ccc1-n1cnc(C)c1
InChIInChI=1S/C29H32F2N4O3.C28H32N4O3.C27H30N4O3.C27H30N4O2.C25H26N4O3/c1-17-8-22(10-21-6-7-25(26(11-21)37-5)34-14-19(3)32-16-34)28-33-38-15-29(20(4)36,35(28)13-17)23-9-18(2)27(31)24(30)12-23;1-18-7-10-22(11-8-18)26-27(20(3)33)35-30-28-23(6-5-13-32(26)28)14-21-9-12-24(25(15-21)34-4)31-16-19(2)29-17-31;1-18-6-9-21(10-7-18)26-25(16-32)34-29-27-22(5-4-12-31(26)27)13-20-8-11-23(24(14-20)33-3)30-15-19(2)28-17-30;1-18-7-10-22(11-8-18)26-20(3)33-29-27-23(6-5-13-31(26)27)14-21-9-12-24(25(15-21)32-4)30-16-19(2)28-17-30;1-17-4-7-20(8-5-17)22-15-32-27-25-24(31-11-10-29(22)25)13-19-6-9-21(23(12-19)30-3)28-14-18(2)26-16-28/h6-7,9-12,14,16-17,20,36H,8,13,15H2,1-5H3;7-12,14-17,20,26-27,33H,5-6,13H2,1-4H3;6-11,13-15,17,25-26,32H,4-5,12,16H2,1-3H3;7-12,14-17,20,26H,5-6,13H2,1-4H3;4-9,12-14,16,22H,10-11,15H2,1-3H3/b22-10+;23-14+;22-13+;23-14+;24-13-
InChIKeyHOFKQNJGDTWQSH-AECNMMGMSA-N
XLogP24.06
TPSA329.32 Ų
H-Bond Donors3
H-Bond Acceptors34
Rotatable Bonds23
Heavy Atoms172
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002326.82
LogP ≤ 524.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1034

Analyze 1-[(9E)-4-(3,4-difluoro-5-methylphenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7-methyl-3,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazin-4-yl]ethanol;(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-4-(4-methylphenyl)-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;(9Z)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(4-methylphenyl)-3,4,6,7-tetrahydro-[1,4]oxazino[3,4-c][1,2,4]oxadiazine;1-[(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(4-methylphenyl)-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-3-yl]ethanol;[(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(4-methylphenyl)-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-3-yl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(9E)-4-(3,4-difluoro-5-methylphenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7-methyl-3,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazin-4-yl]ethanol;(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-4-(4-methylphenyl)-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;(9Z)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(4-methylphenyl)-3,4,6,7-tetrahydro-[1,4]oxazino[3,4-c][1,2,4]oxadiazine;1-[(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(4-methylphenyl)-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-3-yl]ethanol;[(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(4-methylphenyl)-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-3-yl]methanol?
The IUPAC name of 1-[(9E)-4-(3,4-difluoro-5-methylphenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7-methyl-3,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazin-4-yl]ethanol;(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-4-(4-methylphenyl)-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;(9Z)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(4-methylphenyl)-3,4,6,7-tetrahydro-[1,4]oxazino[3,4-c][1,2,4]oxadiazine;1-[(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(4-methylphenyl)-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-3-yl]ethanol;[(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(4-methylphenyl)-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-3-yl]methanol (CID 158538421) is 1-[(9E)-4-(3,4-difluoro-5-methylphenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7-methyl-3,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazin-4-yl]ethanol;(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-4-(4-methylphenyl)-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;(9Z)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(4-methylphenyl)-3,4,6,7-tetrahydro-[1,4]oxazino[3,4-c][1,2,4]oxadiazine;1-[(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(4-methylphenyl)-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-3-yl]ethanol;[(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(4-methylphenyl)-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-3-yl]methanol.
What is the SMILES notation for 1-[(9E)-4-(3,4-difluoro-5-methylphenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7-methyl-3,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazin-4-yl]ethanol;(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-4-(4-methylphenyl)-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;(9Z)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(4-methylphenyl)-3,4,6,7-tetrahydro-[1,4]oxazino[3,4-c][1,2,4]oxadiazine;1-[(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(4-methylphenyl)-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-3-yl]ethanol;[(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(4-methylphenyl)-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-3-yl]methanol?
The canonical SMILES for 1-[(9E)-4-(3,4-difluoro-5-methylphenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7-methyl-3,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazin-4-yl]ethanol;(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-4-(4-methylphenyl)-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;(9Z)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(4-methylphenyl)-3,4,6,7-tetrahydro-[1,4]oxazino[3,4-c][1,2,4]oxadiazine;1-[(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(4-methylphenyl)-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-3-yl]ethanol;[(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(4-methylphenyl)-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-3-yl]methanol is COc1cc(/C=C2\CC(C)CN3C2=NOCC3(c2cc(C)c(F)c(F)c2)C(C)O)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCCN3C2=NOC(C(C)O)C3c2ccc(C)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCCN3C2=NOC(C)C3c2ccc(C)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCCN3C2=NOC(CO)C3c2ccc(C)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\OCCN3C2=NOCC3c2ccc(C)cc2)ccc1-n1cnc(C)c1.
What is the InChIKey of 1-[(9E)-4-(3,4-difluoro-5-methylphenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7-methyl-3,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazin-4-yl]ethanol;(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-4-(4-methylphenyl)-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;(9Z)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(4-methylphenyl)-3,4,6,7-tetrahydro-[1,4]oxazino[3,4-c][1,2,4]oxadiazine;1-[(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(4-methylphenyl)-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-3-yl]ethanol;[(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(4-methylphenyl)-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-3-yl]methanol?
The InChIKey is HOFKQNJGDTWQSH-AECNMMGMSA-N. The full InChI is InChI=1S/C29H32F2N4O3.C28H32N4O3.C27H30N4O3.C27H30N4O2.C25H26N4O3/c1-17-8-22(10-21-6-7-25(26(11-21)37-5)34-14-19(3)32-16-34)28-33-38-15-29(20(4)36,35(28)13-17)23-9-18(2)27(31)24(30)12-23;1-18-7-10-22(11-8-18)26-27(20(3)33)35-30-28-23(6-5-13-32(26)28)14-21-9-12-24(25(15-21)34-4)31-16-19(2)29-17-31;1-18-6-9-21(10-7-18)26-25(16-32)34-29-27-22(5-4-12-31(26)27)13-20-8-11-23(24(14-20)33-3)30-15-19(2)28-17-30;1-18-7-10-22(11-8-18)26-20(3)33-29-27-23(6-5-13-31(26)27)14-21-9-12-24(25(15-21)32-4)30-16-19(2)28-17-30;1-17-4-7-20(8-5-17)22-15-32-27-25-24(31-11-10-29(22)25)13-19-6-9-21(23(12-19)30-3)28-14-18(2)26-16-28/h6-7,9-12,14,16-17,20,36H,8,13,15H2,1-5H3;7-12,14-17,20,26-27,33H,5-6,13H2,1-4H3;6-11,13-15,17,25-26,32H,4-5,12,16H2,1-3H3;7-12,14-17,20,26H,5-6,13H2,1-4H3;4-9,12-14,16,22H,10-11,15H2,1-3H3/b22-10+;23-14+;22-13+;23-14+;24-13-.
What are the key properties of 1-[(9E)-4-(3,4-difluoro-5-methylphenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7-methyl-3,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazin-4-yl]ethanol;(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-4-(4-methylphenyl)-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;(9Z)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(4-methylphenyl)-3,4,6,7-tetrahydro-[1,4]oxazino[3,4-c][1,2,4]oxadiazine;1-[(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(4-methylphenyl)-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-3-yl]ethanol;[(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(4-methylphenyl)-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-3-yl]methanol?
1-[(9E)-4-(3,4-difluoro-5-methylphenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7-methyl-3,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazin-4-yl]ethanol;(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-4-(4-methylphenyl)-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;(9Z)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(4-methylphenyl)-3,4,6,7-tetrahydro-[1,4]oxazino[3,4-c][1,2,4]oxadiazine;1-[(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(4-methylphenyl)-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-3-yl]ethanol;[(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(4-methylphenyl)-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-3-yl]methanol has a molecular weight of 2326.82 g/mol, XLogP of 24.06, 23 rotatable bonds, 3 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(9E)-4-(3,4-difluoro-5-methylphenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7-methyl-3,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazin-4-yl]ethanol;(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-4-(4-methylphenyl)-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;(9Z)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(4-methylphenyl)-3,4,6,7-tetrahydro-[1,4]oxazino[3,4-c][1,2,4]oxadiazine;1-[(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(4-methylphenyl)-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-3-yl]ethanol;[(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(4-methylphenyl)-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-3-yl]methanol is sourced from PubChem (CID 158538421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).