(9Z)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-[1,4]oxazino[4,3-b][1,2,4]triazine;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7,8-dihydro-6H-pyrido[1,2-b][1,2,4]triazine;(9Z)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-6,7-dihydro-[1,4]oxazino[4,3-b][1,2,4]triazine;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2-methyl-7,8-dihydro-6H-pyrido[1,2-b][1,2,4]triazine;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-7,8-dihydro-6H-pyrido[1,2-b][1,2,4]triazine

C126H122F5N25O7 — CID 157308567

About (9Z)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-[1,4]oxazino[4,3-b][1,2,4]triazine;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7,8-dihydro-6H-pyrido[1,2-b][1,2,4]triazine;(9Z)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-6,7-dihydro-[1,4]oxazino[4,3-b][1,2,4]triazine;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2-methyl-7,8-dihydro-6H-pyrido[1,2-b][1,2,4]triazine;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-7,8-dihydro-6H-pyrido[1,2-b][1,2,4]triazine

(9Z)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-[1,4]oxazino[4,3-b][1,2,4]triazine;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7,8-dihydro-6H-pyrido[1,2-b][1,2,4]triazine;(9Z)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-6,7-dihydro-[1,4]oxazino[4,3-b][1,2,4]triazine;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2-methyl-7,8-dihydro-6H-pyrido[1,2-b][1,2,4]triazine;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-7,8-dihydro-6H-pyrido[1,2-b][1,2,4]triazine (PubChem CID 157308567) has the molecular formula C126H122F5N25O7 and a molecular weight of 2193.52 g/mol. Its IUPAC name is (9Z)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-[1,4]oxazino[4,3-b][1,2,4]triazine;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7,8-dihydro-6H-pyrido[1,2-b][1,2,4]triazine;(9Z)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-6,7-dihydro-[1,4]oxazino[4,3-b][1,2,4]triazine;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2-methyl-7,8-dihydro-6H-pyrido[1,2-b][1,2,4]triazine;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-7,8-dihydro-6H-pyrido[1,2-b][1,2,4]triazine.

Molecular Properties

• Compound Name: (9Z)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-[1,4]oxazino[4,3-b][1,2,4]triazine;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7,8-dihydro-6H-pyrido[1,2-b][1,2,4]triazine;(9Z)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-6,7-dihydro-[1,4]oxazino[4,3-b][1,2,4]triazine;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2-methyl-7,8-dihydro-6H-pyrido[1,2-b][1,2,4]triazine;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-7,8-dihydro-6H-pyrido[1,2-b][1,2,4]triazine
• PubChem CID: 157308567
• Molecular Formula: C126H122F5N25O7
• Molecular Weight: 2193.52 g/mol
• Exact Mass: 2191.99
• IUPAC Name: (9Z)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-[1,4]oxazino[4,3-b][1,2,4]triazine;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7,8-dihydro-6H-pyrido[1,2-b][1,2,4]triazine;(9Z)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-6,7-dihydro-[1,4]oxazino[4,3-b][1,2,4]triazine;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2-methyl-7,8-dihydro-6H-pyrido[1,2-b][1,2,4]triazine;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-7,8-dihydro-6H-pyrido[1,2-b][1,2,4]triazine
• SMILES: COc1cc(/C=C2\CCCN3C2=NC(C)=CN3c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCCN3C2=NC=C(C)N3c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCCN3C2=NC=CN3c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\OCCN3C2=NC=C(C)N3c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\OCCN3C2=NC=CN3c2ccc(F)cc2)ccc1-n1cnc(C)c1
• InChI: InChI=1S/2C26H26FN5O.C25H24FN5O2.C25H24FN5O.C24H22FN5O2/c1-18-16-30(17-29-18)24-11-6-20(14-25(24)33-3)13-21-5-4-12-31-26(21)28-15-19(2)32(31)23-9-7-22(27)8-10-23;1-18-15-30(17-28-18)24-11-6-20(14-25(24)33-3)13-21-5-4-12-31-26(21)29-19(2)16-32(31)23-9-7-22(27)8-10-23;1-17-15-29(16-28-17)22-9-4-19(12-23(22)32-3)13-24-25-27-14-18(2)31(30(25)10-11-33-24)21-7-5-20(26)6-8-21;1-18-16-29(17-28-18)23-10-5-19(15-24(23)32-2)14-20-4-3-12-31-25(20)27-11-13-30(31)22-8-6-21(26)7-9-22;1-17-15-28(16-27-17)21-8-3-18(13-22(21)31-2)14-23-24-26-9-10-29(30(24)11-12-32-23)20-6-4-19(25)5-7-20/h2*6-11,13-17H,4-5,12H2,1-3H3;4-9,12-16H,10-11H2,1-3H3;5-11,13-17H,3-4,12H2,1-2H3;3-10,13-16H,11-12H2,1-2H3/b2*21-13+;24-13-;20-14+;23-14-
• InChIKey: BCTSHSABUGUGSP-VENXAEPRSA-N
• XLogP: 25.12
• TPSA: 247.91 Ų
• H-Bond Acceptors: 32
• Rotatable Bonds: 20
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2193.52
LogP ≤ 5	25.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of (9Z)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-[1,4]oxazino[4,3-b][1,2,4]triazine;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7,8-dihydro-6H-pyrido[1,2-b][1,2,4]triazine;(9Z)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-6,7-dihydro-[1,4]oxazino[4,3-b][1,2,4]triazine;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2-methyl-7,8-dihydro-6H-pyrido[1,2-b][1,2,4]triazine;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-7,8-dihydro-6H-pyrido[1,2-b][1,2,4]triazine?

The IUPAC name of (9Z)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-[1,4]oxazino[4,3-b][1,2,4]triazine;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7,8-dihydro-6H-pyrido[1,2-b][1,2,4]triazine;(9Z)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-6,7-dihydro-[1,4]oxazino[4,3-b][1,2,4]triazine;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2-methyl-7,8-dihydro-6H-pyrido[1,2-b][1,2,4]triazine;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-7,8-dihydro-6H-pyrido[1,2-b][1,2,4]triazine (CID 157308567) is (9Z)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-[1,4]oxazino[4,3-b][1,2,4]triazine;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7,8-dihydro-6H-pyrido[1,2-b][1,2,4]triazine;(9Z)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-6,7-dihydro-[1,4]oxazino[4,3-b][1,2,4]triazine;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2-methyl-7,8-dihydro-6H-pyrido[1,2-b][1,2,4]triazine;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-7,8-dihydro-6H-pyrido[1,2-b][1,2,4]triazine.

What is the SMILES notation for (9Z)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-[1,4]oxazino[4,3-b][1,2,4]triazine;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7,8-dihydro-6H-pyrido[1,2-b][1,2,4]triazine;(9Z)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-6,7-dihydro-[1,4]oxazino[4,3-b][1,2,4]triazine;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2-methyl-7,8-dihydro-6H-pyrido[1,2-b][1,2,4]triazine;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-7,8-dihydro-6H-pyrido[1,2-b][1,2,4]triazine?

The canonical SMILES for (9Z)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-[1,4]oxazino[4,3-b][1,2,4]triazine;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7,8-dihydro-6H-pyrido[1,2-b][1,2,4]triazine;(9Z)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-6,7-dihydro-[1,4]oxazino[4,3-b][1,2,4]triazine;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2-methyl-7,8-dihydro-6H-pyrido[1,2-b][1,2,4]triazine;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-7,8-dihydro-6H-pyrido[1,2-b][1,2,4]triazine is COc1cc(/C=C2\CCCN3C2=NC(C)=CN3c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCCN3C2=NC=C(C)N3c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCCN3C2=NC=CN3c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\OCCN3C2=NC=C(C)N3c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\OCCN3C2=NC=CN3c2ccc(F)cc2)ccc1-n1cnc(C)c1.

What is the InChIKey of (9Z)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-[1,4]oxazino[4,3-b][1,2,4]triazine;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7,8-dihydro-6H-pyrido[1,2-b][1,2,4]triazine;(9Z)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-6,7-dihydro-[1,4]oxazino[4,3-b][1,2,4]triazine;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2-methyl-7,8-dihydro-6H-pyrido[1,2-b][1,2,4]triazine;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-7,8-dihydro-6H-pyrido[1,2-b][1,2,4]triazine?

The InChIKey is BCTSHSABUGUGSP-VENXAEPRSA-N. The full InChI is InChI=1S/2C26H26FN5O.C25H24FN5O2.C25H24FN5O.C24H22FN5O2/c1-18-16-30(17-29-18)24-11-6-20(14-25(24)33-3)13-21-5-4-12-31-26(21)28-15-19(2)32(31)23-9-7-22(27)8-10-23;1-18-15-30(17-28-18)24-11-6-20(14-25(24)33-3)13-21-5-4-12-31-26(21)29-19(2)16-32(31)23-9-7-22(27)8-10-23;1-17-15-29(16-28-17)22-9-4-19(12-23(22)32-3)13-24-25-27-14-18(2)31(30(25)10-11-33-24)21-7-5-20(26)6-8-21;1-18-16-29(17-28-18)23-10-5-19(15-24(23)32-2)14-20-4-3-12-31-25(20)27-11-13-30(31)22-8-6-21(26)7-9-22;1-17-15-28(16-27-17)21-8-3-18(13-22(21)31-2)14-23-24-26-9-10-29(30(24)11-12-32-23)20-6-4-19(25)5-7-20/h2*6-11,13-17H,4-5,12H2,1-3H3;4-9,12-16H,10-11H2,1-3H3;5-11,13-17H,3-4,12H2,1-2H3;3-10,13-16H,11-12H2,1-2H3/b2*21-13+;24-13-;20-14+;23-14-.

What are the key properties of (9Z)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-[1,4]oxazino[4,3-b][1,2,4]triazine;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7,8-dihydro-6H-pyrido[1,2-b][1,2,4]triazine;(9Z)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-6,7-dihydro-[1,4]oxazino[4,3-b][1,2,4]triazine;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2-methyl-7,8-dihydro-6H-pyrido[1,2-b][1,2,4]triazine;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-7,8-dihydro-6H-pyrido[1,2-b][1,2,4]triazine?

(9Z)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-[1,4]oxazino[4,3-b][1,2,4]triazine;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7,8-dihydro-6H-pyrido[1,2-b][1,2,4]triazine;(9Z)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-6,7-dihydro-[1,4]oxazino[4,3-b][1,2,4]triazine;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2-methyl-7,8-dihydro-6H-pyrido[1,2-b][1,2,4]triazine;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-7,8-dihydro-6H-pyrido[1,2-b][1,2,4]triazine has a molecular weight of 2193.52 g/mol, XLogP of 25.12, 20 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for (9Z)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-[1,4]oxazino[4,3-b][1,2,4]triazine;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7,8-dihydro-6H-pyrido[1,2-b][1,2,4]triazine;(9Z)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-6,7-dihydro-[1,4]oxazino[4,3-b][1,2,4]triazine;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2-methyl-7,8-dihydro-6H-pyrido[1,2-b][1,2,4]triazine;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-7,8-dihydro-6H-pyrido[1,2-b][1,2,4]triazine is sourced from PubChem (CID 157308567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).