(9E)-9-[[3,3-difluoro-7-(4-methylimidazol-1-yl)-2H-1-benzofuran-4-yl]methylidene]-4-(4-fluorophenyl)spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,3'-oxetane];(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,3'-azetidine];(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,2'-oxane];(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,4'-oxane];(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,3'-oxolane];(9E)-4-(5-fluoro-2-pyridinyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,2'-morpholine]

C168H173F8N27O17 — CID 162028614

About (9E)-9-[[3,3-difluoro-7-(4-methylimidazol-1-yl)-2H-1-benzofuran-4-yl]methylidene]-4-(4-fluorophenyl)spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,3'-oxetane];(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,3'-azetidine];(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,2'-oxane];(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,4'-oxane];(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,3'-oxolane];(9E)-4-(5-fluoro-2-pyridinyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,2'-morpholine]

(9E)-9-[[3,3-difluoro-7-(4-methylimidazol-1-yl)-2H-1-benzofuran-4-yl]methylidene]-4-(4-fluorophenyl)spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,3'-oxetane];(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,3'-azetidine];(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,2'-oxane];(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,4'-oxane];(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,3'-oxolane];(9E)-4-(5-fluoro-2-pyridinyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,2'-morpholine] (PubChem CID 162028614) has the molecular formula C168H173F8N27O17 and a molecular weight of 2994.39 g/mol. Its IUPAC name is (9E)-9-[[3,3-difluoro-7-(4-methylimidazol-1-yl)-2H-1-benzofuran-4-yl]methylidene]-4-(4-fluorophenyl)spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,3'-oxetane];(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,3'-azetidine];(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,2'-oxane];(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,4'-oxane];(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,3'-oxolane];(9E)-4-(5-fluoro-2-pyridinyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,2'-morpholine].

Molecular Properties

• Compound Name: (9E)-9-[[3,3-difluoro-7-(4-methylimidazol-1-yl)-2H-1-benzofuran-4-yl]methylidene]-4-(4-fluorophenyl)spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,3'-oxetane];(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,3'-azetidine];(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,2'-oxane];(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,4'-oxane];(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,3'-oxolane];(9E)-4-(5-fluoro-2-pyridinyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,2'-morpholine]
• PubChem CID: 162028614
• Molecular Formula: C168H173F8N27O17
• Molecular Weight: 2994.39 g/mol
• Exact Mass: 2992.34
• IUPAC Name: (9E)-9-[[3,3-difluoro-7-(4-methylimidazol-1-yl)-2H-1-benzofuran-4-yl]methylidene]-4-(4-fluorophenyl)spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,3'-oxetane];(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,3'-azetidine];(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,2'-oxane];(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,4'-oxane];(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,3'-oxolane];(9E)-4-(5-fluoro-2-pyridinyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,2'-morpholine]
• SMILES: COc1cc(/C=C2\CC3(CCCCO3)CN3C2=NOCC3c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CC3(CCOC3)CN3C2=NOCC3c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CC3(CCOCC3)CN3C2=NOCC3c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CC3(CNC3)CN3C2=NOCC3c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CC3(CNCCO3)CN3C2=NOCC3c2ccc(F)cn2)ccc1-n1cnc(C)c1.Cc1cn(-c2ccc(/C=C3\CC4(COC4)CN4C3=NOCC4c3ccc(F)cc3)c3c2OCC3(F)F)cn1
• InChI: InChI=1S/2C29H31FN4O3.C28H25F3N4O3.C28H29FN4O3.C27H29FN6O3.C27H28FN5O2/c1-20-16-33(19-31-20)25-8-3-21(14-27(25)35-2)13-23-15-29(9-11-36-12-10-29)18-34-26(17-37-32-28(23)34)22-4-6-24(30)7-5-22;1-20-16-33(19-31-20)25-10-5-21(14-27(25)35-2)13-23-15-29(11-3-4-12-36-29)18-34-26(17-37-32-28(23)34)22-6-8-24(30)9-7-22;1-17-10-34(16-32-17)22-7-4-19(24-25(22)37-15-28(24,30)31)8-20-9-27(13-36-14-27)12-35-23(11-38-33-26(20)35)18-2-5-21(29)6-3-18;1-19-14-32(18-30-19)24-8-3-20(12-26(24)34-2)11-22-13-28(9-10-35-17-28)16-33-25(15-36-31-27(22)33)21-4-6-23(29)7-5-21;1-18-13-33(17-31-18)23-6-3-19(10-25(23)35-2)9-20-11-27(15-29-7-8-36-27)16-34-24(14-37-32-26(20)34)22-5-4-21(28)12-30-22;1-18-12-32(17-30-18)23-8-3-19(10-25(23)34-2)9-21-11-27(14-29-15-27)16-33-24(13-35-31-26(21)33)20-4-6-22(28)7-5-20/h3-8,13-14,16,19,26H,9-12,15,17-18H2,1-2H3;5-10,13-14,16,19,26H,3-4,11-12,15,17-18H2,1-2H3;2-8,10,16,23H,9,11-15H2,1H3;3-8,11-12,14,18,25H,9-10,13,15-17H2,1-2H3;3-6,9-10,12-13,17,24,29H,7-8,11,14-16H2,1-2H3;3-10,12,17,24,29H,11,13-16H2,1-2H3/b2*23-13+;20-8+;22-11+;20-9+;21-9+
• InChIKey: YVSJLTQQDATTGO-HUZPKRAUSA-N
• XLogP: 27.99
• TPSA: 394.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 44
• Rotatable Bonds: 23
• Heavy Atoms: 220
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2994.39
LogP ≤ 5	27.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	44

Frequently Asked Questions

What is the IUPAC name of (9E)-9-[[3,3-difluoro-7-(4-methylimidazol-1-yl)-2H-1-benzofuran-4-yl]methylidene]-4-(4-fluorophenyl)spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,3'-oxetane];(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,3'-azetidine];(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,2'-oxane];(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,4'-oxane];(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,3'-oxolane];(9E)-4-(5-fluoro-2-pyridinyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,2'-morpholine]?

The IUPAC name of (9E)-9-[[3,3-difluoro-7-(4-methylimidazol-1-yl)-2H-1-benzofuran-4-yl]methylidene]-4-(4-fluorophenyl)spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,3'-oxetane];(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,3'-azetidine];(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,2'-oxane];(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,4'-oxane];(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,3'-oxolane];(9E)-4-(5-fluoro-2-pyridinyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,2'-morpholine] (CID 162028614) is (9E)-9-[[3,3-difluoro-7-(4-methylimidazol-1-yl)-2H-1-benzofuran-4-yl]methylidene]-4-(4-fluorophenyl)spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,3'-oxetane];(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,3'-azetidine];(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,2'-oxane];(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,4'-oxane];(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,3'-oxolane];(9E)-4-(5-fluoro-2-pyridinyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,2'-morpholine].

What is the SMILES notation for (9E)-9-[[3,3-difluoro-7-(4-methylimidazol-1-yl)-2H-1-benzofuran-4-yl]methylidene]-4-(4-fluorophenyl)spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,3'-oxetane];(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,3'-azetidine];(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,2'-oxane];(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,4'-oxane];(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,3'-oxolane];(9E)-4-(5-fluoro-2-pyridinyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,2'-morpholine]?

The canonical SMILES for (9E)-9-[[3,3-difluoro-7-(4-methylimidazol-1-yl)-2H-1-benzofuran-4-yl]methylidene]-4-(4-fluorophenyl)spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,3'-oxetane];(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,3'-azetidine];(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,2'-oxane];(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,4'-oxane];(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,3'-oxolane];(9E)-4-(5-fluoro-2-pyridinyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,2'-morpholine] is COc1cc(/C=C2\CC3(CCCCO3)CN3C2=NOCC3c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CC3(CCOC3)CN3C2=NOCC3c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CC3(CCOCC3)CN3C2=NOCC3c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CC3(CNC3)CN3C2=NOCC3c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CC3(CNCCO3)CN3C2=NOCC3c2ccc(F)cn2)ccc1-n1cnc(C)c1.Cc1cn(-c2ccc(/C=C3\CC4(COC4)CN4C3=NOCC4c3ccc(F)cc3)c3c2OCC3(F)F)cn1.

What is the InChIKey of (9E)-9-[[3,3-difluoro-7-(4-methylimidazol-1-yl)-2H-1-benzofuran-4-yl]methylidene]-4-(4-fluorophenyl)spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,3'-oxetane];(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,3'-azetidine];(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,2'-oxane];(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,4'-oxane];(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,3'-oxolane];(9E)-4-(5-fluoro-2-pyridinyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,2'-morpholine]?

The InChIKey is YVSJLTQQDATTGO-HUZPKRAUSA-N. The full InChI is InChI=1S/2C29H31FN4O3.C28H25F3N4O3.C28H29FN4O3.C27H29FN6O3.C27H28FN5O2/c1-20-16-33(19-31-20)25-8-3-21(14-27(25)35-2)13-23-15-29(9-11-36-12-10-29)18-34-26(17-37-32-28(23)34)22-4-6-24(30)7-5-22;1-20-16-33(19-31-20)25-10-5-21(14-27(25)35-2)13-23-15-29(11-3-4-12-36-29)18-34-26(17-37-32-28(23)34)22-6-8-24(30)9-7-22;1-17-10-34(16-32-17)22-7-4-19(24-25(22)37-15-28(24,30)31)8-20-9-27(13-36-14-27)12-35-23(11-38-33-26(20)35)18-2-5-21(29)6-3-18;1-19-14-32(18-30-19)24-8-3-20(12-26(24)34-2)11-22-13-28(9-10-35-17-28)16-33-25(15-36-31-27(22)33)21-4-6-23(29)7-5-21;1-18-13-33(17-31-18)23-6-3-19(10-25(23)35-2)9-20-11-27(15-29-7-8-36-27)16-34-24(14-37-32-26(20)34)22-5-4-21(28)12-30-22;1-18-12-32(17-30-18)23-8-3-19(10-25(23)34-2)9-21-11-27(14-29-15-27)16-33-24(13-35-31-26(21)33)20-4-6-22(28)7-5-20/h3-8,13-14,16,19,26H,9-12,15,17-18H2,1-2H3;5-10,13-14,16,19,26H,3-4,11-12,15,17-18H2,1-2H3;2-8,10,16,23H,9,11-15H2,1H3;3-8,11-12,14,18,25H,9-10,13,15-17H2,1-2H3;3-6,9-10,12-13,17,24,29H,7-8,11,14-16H2,1-2H3;3-10,12,17,24,29H,11,13-16H2,1-2H3/b2*23-13+;20-8+;22-11+;20-9+;21-9+.

What are the key properties of (9E)-9-[[3,3-difluoro-7-(4-methylimidazol-1-yl)-2H-1-benzofuran-4-yl]methylidene]-4-(4-fluorophenyl)spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,3'-oxetane];(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,3'-azetidine];(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,2'-oxane];(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,4'-oxane];(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,3'-oxolane];(9E)-4-(5-fluoro-2-pyridinyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,2'-morpholine]?

(9E)-9-[[3,3-difluoro-7-(4-methylimidazol-1-yl)-2H-1-benzofuran-4-yl]methylidene]-4-(4-fluorophenyl)spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,3'-oxetane];(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,3'-azetidine];(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,2'-oxane];(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,4'-oxane];(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,3'-oxolane];(9E)-4-(5-fluoro-2-pyridinyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,2'-morpholine] has a molecular weight of 2994.39 g/mol, XLogP of 27.99, 23 rotatable bonds, 2 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for (9E)-9-[[3,3-difluoro-7-(4-methylimidazol-1-yl)-2H-1-benzofuran-4-yl]methylidene]-4-(4-fluorophenyl)spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,3'-oxetane];(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,3'-azetidine];(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,2'-oxane];(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,4'-oxane];(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,3'-oxolane];(9E)-4-(5-fluoro-2-pyridinyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,2'-morpholine] is sourced from PubChem (CID 162028614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).