[5-[(9E)-9-[[3,3-difluoro-7-(4-methylimidazol-1-yl)-2H-1-benzofuran-4-yl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,1'-cyclopropane]-4-yl]-2-fluorophenyl]-diethyl-methylsilane;[2-fluoro-5-[(9E)-9-[[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,1'-cyclopropane]-4-yl]phenyl]-dimethyl-phenylsilane;[2-fluoro-5-[(9E)-9-[[7-(4-methylimidazol-1-yl)-1,2-benzoxazol-4-yl]methylidene]spiro[3,4,6,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,3'-oxetane]-4-yl]phenyl]-trimethylsilane;[2-fluoro-5-[(9E)-9-[[5-(3-methyl-1,2,4-triazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]spiro[3,4,6,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,3'-oxetane]-4-yl]phenyl]-trimethylsilane;[(8E)-3-(4-fluoro-3-trimethylsilylphenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-oxetane]-3-yl]methanol;[(8E)-3-(4-fluoro-3-trimethylsilylphenyl)-8-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]spiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-oxetane]-3-yl]methanol

C191H215F8N27O13Si6 — CID 160558501

About [5-[(9E)-9-[[3,3-difluoro-7-(4-methylimidazol-1-yl)-2H-1-benzofuran-4-yl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,1'-cyclopropane]-4-yl]-2-fluorophenyl]-diethyl-methylsilane;[2-fluoro-5-[(9E)-9-[[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,1'-cyclopropane]-4-yl]phenyl]-dimethyl-phenylsilane;[2-fluoro-5-[(9E)-9-[[7-(4-methylimidazol-1-yl)-1,2-benzoxazol-4-yl]methylidene]spiro[3,4,6,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,3'-oxetane]-4-yl]phenyl]-trimethylsilane;[2-fluoro-5-[(9E)-9-[[5-(3-methyl-1,2,4-triazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]spiro[3,4,6,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,3'-oxetane]-4-yl]phenyl]-trimethylsilane;[(8E)-3-(4-fluoro-3-trimethylsilylphenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-oxetane]-3-yl]methanol;[(8E)-3-(4-fluoro-3-trimethylsilylphenyl)-8-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]spiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-oxetane]-3-yl]methanol

[5-[(9E)-9-[[3,3-difluoro-7-(4-methylimidazol-1-yl)-2H-1-benzofuran-4-yl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,1'-cyclopropane]-4-yl]-2-fluorophenyl]-diethyl-methylsilane;[2-fluoro-5-[(9E)-9-[[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,1'-cyclopropane]-4-yl]phenyl]-dimethyl-phenylsilane;[2-fluoro-5-[(9E)-9-[[7-(4-methylimidazol-1-yl)-1,2-benzoxazol-4-yl]methylidene]spiro[3,4,6,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,3'-oxetane]-4-yl]phenyl]-trimethylsilane;[2-fluoro-5-[(9E)-9-[[5-(3-methyl-1,2,4-triazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]spiro[3,4,6,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,3'-oxetane]-4-yl]phenyl]-trimethylsilane;[(8E)-3-(4-fluoro-3-trimethylsilylphenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-oxetane]-3-yl]methanol;[(8E)-3-(4-fluoro-3-trimethylsilylphenyl)-8-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]spiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-oxetane]-3-yl]methanol (PubChem CID 160558501) has the molecular formula C191H215F8N27O13Si6 and a molecular weight of 3417.50 g/mol. Its IUPAC name is [5-[(9E)-9-[[3,3-difluoro-7-(4-methylimidazol-1-yl)-2H-1-benzofuran-4-yl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,1'-cyclopropane]-4-yl]-2-fluorophenyl]-diethyl-methylsilane;[2-fluoro-5-[(9E)-9-[[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,1'-cyclopropane]-4-yl]phenyl]-dimethyl-phenylsilane;[2-fluoro-5-[(9E)-9-[[7-(4-methylimidazol-1-yl)-1,2-benzoxazol-4-yl]methylidene]spiro[3,4,6,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,3'-oxetane]-4-yl]phenyl]-trimethylsilane;[2-fluoro-5-[(9E)-9-[[5-(3-methyl-1,2,4-triazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]spiro[3,4,6,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,3'-oxetane]-4-yl]phenyl]-trimethylsilane;[(8E)-3-(4-fluoro-3-trimethylsilylphenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-oxetane]-3-yl]methanol;[(8E)-3-(4-fluoro-3-trimethylsilylphenyl)-8-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]spiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-oxetane]-3-yl]methanol.

Molecular Properties

• Compound Name: [5-[(9E)-9-[[3,3-difluoro-7-(4-methylimidazol-1-yl)-2H-1-benzofuran-4-yl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,1'-cyclopropane]-4-yl]-2-fluorophenyl]-diethyl-methylsilane;[2-fluoro-5-[(9E)-9-[[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,1'-cyclopropane]-4-yl]phenyl]-dimethyl-phenylsilane;[2-fluoro-5-[(9E)-9-[[7-(4-methylimidazol-1-yl)-1,2-benzoxazol-4-yl]methylidene]spiro[3,4,6,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,3'-oxetane]-4-yl]phenyl]-trimethylsilane;[2-fluoro-5-[(9E)-9-[[5-(3-methyl-1,2,4-triazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]spiro[3,4,6,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,3'-oxetane]-4-yl]phenyl]-trimethylsilane;[(8E)-3-(4-fluoro-3-trimethylsilylphenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-oxetane]-3-yl]methanol;[(8E)-3-(4-fluoro-3-trimethylsilylphenyl)-8-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]spiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-oxetane]-3-yl]methanol
• PubChem CID: 160558501
• Molecular Formula: C191H215F8N27O13Si6
• Molecular Weight: 3417.50 g/mol
• Exact Mass: 3414.55
• IUPAC Name: [5-[(9E)-9-[[3,3-difluoro-7-(4-methylimidazol-1-yl)-2H-1-benzofuran-4-yl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,1'-cyclopropane]-4-yl]-2-fluorophenyl]-diethyl-methylsilane;[2-fluoro-5-[(9E)-9-[[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,1'-cyclopropane]-4-yl]phenyl]-dimethyl-phenylsilane;[2-fluoro-5-[(9E)-9-[[7-(4-methylimidazol-1-yl)-1,2-benzoxazol-4-yl]methylidene]spiro[3,4,6,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,3'-oxetane]-4-yl]phenyl]-trimethylsilane;[2-fluoro-5-[(9E)-9-[[5-(3-methyl-1,2,4-triazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]spiro[3,4,6,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,3'-oxetane]-4-yl]phenyl]-trimethylsilane;[(8E)-3-(4-fluoro-3-trimethylsilylphenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-oxetane]-3-yl]methanol;[(8E)-3-(4-fluoro-3-trimethylsilylphenyl)-8-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]spiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-oxetane]-3-yl]methanol
• SMILES: CC[Si](C)(CC)c1cc(C2CON=C3/C(=C/c4ccc(-n5cnc(C)c5)c5c4C(F)(F)CO5)CC4(CC4)CN32)ccc1F.COc1cc(/C=C2\CC3(CC3)CN3C2=NCCC3c2ccc(F)c([Si](C)(C)c3ccccc3)c2)ccc1-n1cnc(C)n1.COc1cc(/C=C2\CC3(COC3)CN3C2=NOC3(CO)c2ccc(F)c([Si](C)(C)C)c2)ccc1-n1cnc(C)c1.Cc1cn(-c2ccc(/C=C3\CC4(COC4)CN4C3=NCCC4c3ccc(F)c([Si](C)(C)C)c3)c3cnoc23)cn1.Cc1cn(-c2ccc(/C=C3\CC4(COC4)CN4C3=NOC4(CO)c3ccc(F)c([Si](C)(C)C)c3)c3c2CC3)cn1.Cc1ncn(-c2ccc(/C=C3\CC4(COC4)CN4C3=NCCC4c3ccc(F)c([Si](C)(C)C)c3)c3c2CC3)n1
• InChI: InChI=1S/C35H38FN5OSi.C33H37F3N4O2Si.C31H34FN5O2Si.C31H36FN5OSi.C31H35FN4O3Si.C30H35FN4O4Si/c1-24-38-23-41(39-24)31-13-10-25(19-32(31)42-2)18-27-21-35(15-16-35)22-40-30(14-17-37-34(27)40)26-11-12-29(36)33(20-26)43(3,4)28-8-6-5-7-9-28;1-5-43(4,6-2)28-14-22(7-9-25(28)34)27-17-42-38-31-24(15-32(11-12-32)18-40(27)31)13-23-8-10-26(39-16-21(3)37-20-39)30-29(23)33(35,36)19-41-30;1-20-15-36(19-34-20)27-8-6-21(24-14-35-39-29(24)27)11-23-13-31(17-38-18-31)16-37-26(9-10-33-30(23)37)22-5-7-25(32)28(12-22)40(2,3)4;1-20-34-19-37(35-20)28-10-6-21(24-7-8-25(24)28)13-23-15-31(17-38-18-31)16-36-27(11-12-33-30(23)36)22-5-9-26(32)29(14-22)39(2,3)4;1-20-14-35(19-33-20)27-10-5-21(24-7-8-25(24)27)11-22-13-30(17-38-18-30)15-36-29(22)34-39-31(36,16-37)23-6-9-26(32)28(12-23)40(2,3)4;1-20-14-34(19-32-20)25-9-6-21(11-26(25)37-2)10-22-13-29(17-38-18-29)15-35-28(22)33-39-30(35,16-36)23-7-8-24(31)27(12-23)40(3,4)5/h5-13,18-20,23,30H,14-17,21-22H2,1-4H3;7-10,13-14,16,20,27H,5-6,11-12,15,17-19H2,1-4H3;5-8,11-12,14-15,19,26H,9-10,13,16-18H2,1-4H3;5-6,9-10,13-14,19,27H,7-8,11-12,15-18H2,1-4H3;5-6,9-12,14,19,37H,7-8,13,15-18H2,1-4H3;6-12,14,19,36H,13,15-18H2,1-5H3/b27-18+;24-13+;23-11+;23-13+;22-11+;22-10+
• InChIKey: QYZQBGXKOPVVHB-KLUWWHKESA-N
• XLogP: 32.13
• TPSA: 385.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 40
• Rotatable Bonds: 31
• Heavy Atoms: 245
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3417.50
LogP ≤ 5	32.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [5-[(9E)-9-[[3,3-difluoro-7-(4-methylimidazol-1-yl)-2H-1-benzofuran-4-yl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,1'-cyclopropane]-4-yl]-2-fluorophenyl]-diethyl-methylsilane;[2-fluoro-5-[(9E)-9-[[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,1'-cyclopropane]-4-yl]phenyl]-dimethyl-phenylsilane;[2-fluoro-5-[(9E)-9-[[7-(4-methylimidazol-1-yl)-1,2-benzoxazol-4-yl]methylidene]spiro[3,4,6,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,3'-oxetane]-4-yl]phenyl]-trimethylsilane;[2-fluoro-5-[(9E)-9-[[5-(3-methyl-1,2,4-triazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]spiro[3,4,6,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,3'-oxetane]-4-yl]phenyl]-trimethylsilane;[(8E)-3-(4-fluoro-3-trimethylsilylphenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-oxetane]-3-yl]methanol;[(8E)-3-(4-fluoro-3-trimethylsilylphenyl)-8-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]spiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-oxetane]-3-yl]methanol?

The IUPAC name of [5-[(9E)-9-[[3,3-difluoro-7-(4-methylimidazol-1-yl)-2H-1-benzofuran-4-yl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,1'-cyclopropane]-4-yl]-2-fluorophenyl]-diethyl-methylsilane;[2-fluoro-5-[(9E)-9-[[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,1'-cyclopropane]-4-yl]phenyl]-dimethyl-phenylsilane;[2-fluoro-5-[(9E)-9-[[7-(4-methylimidazol-1-yl)-1,2-benzoxazol-4-yl]methylidene]spiro[3,4,6,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,3'-oxetane]-4-yl]phenyl]-trimethylsilane;[2-fluoro-5-[(9E)-9-[[5-(3-methyl-1,2,4-triazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]spiro[3,4,6,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,3'-oxetane]-4-yl]phenyl]-trimethylsilane;[(8E)-3-(4-fluoro-3-trimethylsilylphenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-oxetane]-3-yl]methanol;[(8E)-3-(4-fluoro-3-trimethylsilylphenyl)-8-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]spiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-oxetane]-3-yl]methanol (CID 160558501) is [5-[(9E)-9-[[3,3-difluoro-7-(4-methylimidazol-1-yl)-2H-1-benzofuran-4-yl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,1'-cyclopropane]-4-yl]-2-fluorophenyl]-diethyl-methylsilane;[2-fluoro-5-[(9E)-9-[[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,1'-cyclopropane]-4-yl]phenyl]-dimethyl-phenylsilane;[2-fluoro-5-[(9E)-9-[[7-(4-methylimidazol-1-yl)-1,2-benzoxazol-4-yl]methylidene]spiro[3,4,6,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,3'-oxetane]-4-yl]phenyl]-trimethylsilane;[2-fluoro-5-[(9E)-9-[[5-(3-methyl-1,2,4-triazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]spiro[3,4,6,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,3'-oxetane]-4-yl]phenyl]-trimethylsilane;[(8E)-3-(4-fluoro-3-trimethylsilylphenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-oxetane]-3-yl]methanol;[(8E)-3-(4-fluoro-3-trimethylsilylphenyl)-8-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]spiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-oxetane]-3-yl]methanol.

What is the SMILES notation for [5-[(9E)-9-[[3,3-difluoro-7-(4-methylimidazol-1-yl)-2H-1-benzofuran-4-yl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,1'-cyclopropane]-4-yl]-2-fluorophenyl]-diethyl-methylsilane;[2-fluoro-5-[(9E)-9-[[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,1'-cyclopropane]-4-yl]phenyl]-dimethyl-phenylsilane;[2-fluoro-5-[(9E)-9-[[7-(4-methylimidazol-1-yl)-1,2-benzoxazol-4-yl]methylidene]spiro[3,4,6,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,3'-oxetane]-4-yl]phenyl]-trimethylsilane;[2-fluoro-5-[(9E)-9-[[5-(3-methyl-1,2,4-triazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]spiro[3,4,6,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,3'-oxetane]-4-yl]phenyl]-trimethylsilane;[(8E)-3-(4-fluoro-3-trimethylsilylphenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-oxetane]-3-yl]methanol;[(8E)-3-(4-fluoro-3-trimethylsilylphenyl)-8-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]spiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-oxetane]-3-yl]methanol?

The canonical SMILES for [5-[(9E)-9-[[3,3-difluoro-7-(4-methylimidazol-1-yl)-2H-1-benzofuran-4-yl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,1'-cyclopropane]-4-yl]-2-fluorophenyl]-diethyl-methylsilane;[2-fluoro-5-[(9E)-9-[[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,1'-cyclopropane]-4-yl]phenyl]-dimethyl-phenylsilane;[2-fluoro-5-[(9E)-9-[[7-(4-methylimidazol-1-yl)-1,2-benzoxazol-4-yl]methylidene]spiro[3,4,6,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,3'-oxetane]-4-yl]phenyl]-trimethylsilane;[2-fluoro-5-[(9E)-9-[[5-(3-methyl-1,2,4-triazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]spiro[3,4,6,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,3'-oxetane]-4-yl]phenyl]-trimethylsilane;[(8E)-3-(4-fluoro-3-trimethylsilylphenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-oxetane]-3-yl]methanol;[(8E)-3-(4-fluoro-3-trimethylsilylphenyl)-8-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]spiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-oxetane]-3-yl]methanol is CC[Si](C)(CC)c1cc(C2CON=C3/C(=C/c4ccc(-n5cnc(C)c5)c5c4C(F)(F)CO5)CC4(CC4)CN32)ccc1F.COc1cc(/C=C2\CC3(CC3)CN3C2=NCCC3c2ccc(F)c([Si](C)(C)c3ccccc3)c2)ccc1-n1cnc(C)n1.COc1cc(/C=C2\CC3(COC3)CN3C2=NOC3(CO)c2ccc(F)c([Si](C)(C)C)c2)ccc1-n1cnc(C)c1.Cc1cn(-c2ccc(/C=C3\CC4(COC4)CN4C3=NCCC4c3ccc(F)c([Si](C)(C)C)c3)c3cnoc23)cn1.Cc1cn(-c2ccc(/C=C3\CC4(COC4)CN4C3=NOC4(CO)c3ccc(F)c([Si](C)(C)C)c3)c3c2CC3)cn1.Cc1ncn(-c2ccc(/C=C3\CC4(COC4)CN4C3=NCCC4c3ccc(F)c([Si](C)(C)C)c3)c3c2CC3)n1.

What is the InChIKey of [5-[(9E)-9-[[3,3-difluoro-7-(4-methylimidazol-1-yl)-2H-1-benzofuran-4-yl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,1'-cyclopropane]-4-yl]-2-fluorophenyl]-diethyl-methylsilane;[2-fluoro-5-[(9E)-9-[[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,1'-cyclopropane]-4-yl]phenyl]-dimethyl-phenylsilane;[2-fluoro-5-[(9E)-9-[[7-(4-methylimidazol-1-yl)-1,2-benzoxazol-4-yl]methylidene]spiro[3,4,6,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,3'-oxetane]-4-yl]phenyl]-trimethylsilane;[2-fluoro-5-[(9E)-9-[[5-(3-methyl-1,2,4-triazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]spiro[3,4,6,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,3'-oxetane]-4-yl]phenyl]-trimethylsilane;[(8E)-3-(4-fluoro-3-trimethylsilylphenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-oxetane]-3-yl]methanol;[(8E)-3-(4-fluoro-3-trimethylsilylphenyl)-8-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]spiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-oxetane]-3-yl]methanol?

The InChIKey is QYZQBGXKOPVVHB-KLUWWHKESA-N. The full InChI is InChI=1S/C35H38FN5OSi.C33H37F3N4O2Si.C31H34FN5O2Si.C31H36FN5OSi.C31H35FN4O3Si.C30H35FN4O4Si/c1-24-38-23-41(39-24)31-13-10-25(19-32(31)42-2)18-27-21-35(15-16-35)22-40-30(14-17-37-34(27)40)26-11-12-29(36)33(20-26)43(3,4)28-8-6-5-7-9-28;1-5-43(4,6-2)28-14-22(7-9-25(28)34)27-17-42-38-31-24(15-32(11-12-32)18-40(27)31)13-23-8-10-26(39-16-21(3)37-20-39)30-29(23)33(35,36)19-41-30;1-20-15-36(19-34-20)27-8-6-21(24-14-35-39-29(24)27)11-23-13-31(17-38-18-31)16-37-26(9-10-33-30(23)37)22-5-7-25(32)28(12-22)40(2,3)4;1-20-34-19-37(35-20)28-10-6-21(24-7-8-25(24)28)13-23-15-31(17-38-18-31)16-36-27(11-12-33-30(23)36)22-5-9-26(32)29(14-22)39(2,3)4;1-20-14-35(19-33-20)27-10-5-21(24-7-8-25(24)27)11-22-13-30(17-38-18-30)15-36-29(22)34-39-31(36,16-37)23-6-9-26(32)28(12-23)40(2,3)4;1-20-14-34(19-32-20)25-9-6-21(11-26(25)37-2)10-22-13-29(17-38-18-29)15-35-28(22)33-39-30(35,16-36)23-7-8-24(31)27(12-23)40(3,4)5/h5-13,18-20,23,30H,14-17,21-22H2,1-4H3;7-10,13-14,16,20,27H,5-6,11-12,15,17-19H2,1-4H3;5-8,11-12,14-15,19,26H,9-10,13,16-18H2,1-4H3;5-6,9-10,13-14,19,27H,7-8,11-12,15-18H2,1-4H3;5-6,9-12,14,19,37H,7-8,13,15-18H2,1-4H3;6-12,14,19,36H,13,15-18H2,1-5H3/b27-18+;24-13+;23-11+;23-13+;22-11+;22-10+.

What are the key properties of [5-[(9E)-9-[[3,3-difluoro-7-(4-methylimidazol-1-yl)-2H-1-benzofuran-4-yl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,1'-cyclopropane]-4-yl]-2-fluorophenyl]-diethyl-methylsilane;[2-fluoro-5-[(9E)-9-[[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,1'-cyclopropane]-4-yl]phenyl]-dimethyl-phenylsilane;[2-fluoro-5-[(9E)-9-[[7-(4-methylimidazol-1-yl)-1,2-benzoxazol-4-yl]methylidene]spiro[3,4,6,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,3'-oxetane]-4-yl]phenyl]-trimethylsilane;[2-fluoro-5-[(9E)-9-[[5-(3-methyl-1,2,4-triazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]spiro[3,4,6,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,3'-oxetane]-4-yl]phenyl]-trimethylsilane;[(8E)-3-(4-fluoro-3-trimethylsilylphenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-oxetane]-3-yl]methanol;[(8E)-3-(4-fluoro-3-trimethylsilylphenyl)-8-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]spiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-oxetane]-3-yl]methanol?

[5-[(9E)-9-[[3,3-difluoro-7-(4-methylimidazol-1-yl)-2H-1-benzofuran-4-yl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,1'-cyclopropane]-4-yl]-2-fluorophenyl]-diethyl-methylsilane;[2-fluoro-5-[(9E)-9-[[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,1'-cyclopropane]-4-yl]phenyl]-dimethyl-phenylsilane;[2-fluoro-5-[(9E)-9-[[7-(4-methylimidazol-1-yl)-1,2-benzoxazol-4-yl]methylidene]spiro[3,4,6,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,3'-oxetane]-4-yl]phenyl]-trimethylsilane;[2-fluoro-5-[(9E)-9-[[5-(3-methyl-1,2,4-triazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]spiro[3,4,6,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,3'-oxetane]-4-yl]phenyl]-trimethylsilane;[(8E)-3-(4-fluoro-3-trimethylsilylphenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-oxetane]-3-yl]methanol;[(8E)-3-(4-fluoro-3-trimethylsilylphenyl)-8-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]spiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-oxetane]-3-yl]methanol has a molecular weight of 3417.50 g/mol, XLogP of 32.13, 31 rotatable bonds, 2 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[(9E)-9-[[3,3-difluoro-7-(4-methylimidazol-1-yl)-2H-1-benzofuran-4-yl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,1'-cyclopropane]-4-yl]-2-fluorophenyl]-diethyl-methylsilane;[2-fluoro-5-[(9E)-9-[[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,1'-cyclopropane]-4-yl]phenyl]-dimethyl-phenylsilane;[2-fluoro-5-[(9E)-9-[[7-(4-methylimidazol-1-yl)-1,2-benzoxazol-4-yl]methylidene]spiro[3,4,6,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,3'-oxetane]-4-yl]phenyl]-trimethylsilane;[2-fluoro-5-[(9E)-9-[[5-(3-methyl-1,2,4-triazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]spiro[3,4,6,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,3'-oxetane]-4-yl]phenyl]-trimethylsilane;[(8E)-3-(4-fluoro-3-trimethylsilylphenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-oxetane]-3-yl]methanol;[(8E)-3-(4-fluoro-3-trimethylsilylphenyl)-8-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]spiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-oxetane]-3-yl]methanol is sourced from PubChem (CID 160558501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).