2-[4-(3-chloro-2-fluoro-4-methylphenyl)-5-fluoro-1H-imidazol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;2-[5-(3-chloro-2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;5-[5-(3-chloro-2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-9-[5-chloro-2-(tetrazol-1-yl)phenyl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[2-[6-[5-chloro-2-(tetrazol-1-yl)phenyl]-4-oxo-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-2-yl]-5-fluoro-1H-imidazol-4-yl]spiro[1,4-dihydroquinoline-3,1'-cyclopropane]-2-one

C161H109Cl9F14N44O7 — CID 167613504

IUPAC2-[4-(3-chloro-2-fluoro-4-methylphenyl)-5-fluoro-1H-imidazol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;2-[5-(3-chloro-2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;5-[5-(3-chloro-2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-9-[5-chloro-2-(tetrazol-1-yl)phenyl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[2-[6-[5-chloro-2-(tetrazol-1-yl)phenyl]-4-oxo-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-2-yl]-5-fluoro-1H-imidazol-4-yl]spiro[1,4-dihydroquinoline-3,1'-cyclopropane]-2-one
SMILESCc1ccc(-c2cnc(C3C4CC4c4cc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)[nH]2)c(F)c1C(F)(F)F.Cc1ccc(-c2cnc(C3C4CC4c4cc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)[nH]2)c(F)c1Cl.Cc1ccc(-c2cnc(C3C4CC4c4nc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)[nH]2)c(F)c1Cl.Cc1ccc(-c2nc(C3C4CC4c4cc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)[nH]c2F)c(F)c1C(F)(F)F.Cc1ccc(-c2nc(C3C4CC4c4cc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)[nH]c2F)c(F)c1Cl.O=C1Nc2ccc(-c3nc(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)[nH]c3F)cc2CC12CC2
InChIInChI=1S/C30H22ClFN8O2.C27H17ClF5N7O.C27H18ClF4N7O.C26H17Cl2F2N7O.C26H18Cl2FN7O.C25H17Cl2FN8O/c31-17-2-4-22(39-13-33-37-38-39)18(10-17)15-8-23-19-11-20(19)26(40(23)24(41)9-15)28-35-25(27(32)36-28)14-1-3-21-16(7-14)12-30(5-6-30)29(42)34-21;1-11-2-4-14(22(29)21(11)27(31,32)33)23-25(30)36-26(35-23)24-17-9-16(17)19-6-12(7-20(41)40(19)24)15-8-13(28)3-5-18(15)39-10-34-37-38-39;1-12-2-4-15(24(29)23(12)27(30,31)32)19-10-33-26(35-19)25-18-9-17(18)21-6-13(7-22(40)39(21)25)16-8-14(28)3-5-20(16)38-11-34-36-37-38;1-11-2-4-14(22(29)21(11)28)23-25(30)33-26(32-23)24-17-9-16(17)19-6-12(7-20(38)37(19)24)15-8-13(27)3-5-18(15)36-10-31-34-35-36;1-12-2-4-15(24(29)23(12)28)19-10-30-26(32-19)25-18-9-17(18)21-6-13(7-22(37)36(21)25)16-8-14(27)3-5-20(16)35-11-31-33-34-35;1-11-2-4-13(22(28)21(11)27)18-9-29-24(31-18)23-14-7-15(14)25-32-17(8-20(37)36(23)25)16-6-12(26)3-5-19(16)35-10-30-33-34-35/h1-4,7-10,13,19-20,26H,5-6,11-12H2,(H,34,42)(H,35,36);2-8,10,16-17,24H,9H2,1H3,(H,35,36);2-8,10-11,17-18,25H,9H2,1H3,(H,33,35);2-8,10,16-17,24H,9H2,1H3,(H,32,33);2-8,10-11,17-18,25H,9H2,1H3,(H,30,32);2-6,8-10,14-15,23H,7H2,1H3,(H,29,31)
InChIKeyLJZSQXQLHBPZBW-UHFFFAOYSA-N
MW3356.99 g/mol
LogP31.77
Rot. Bonds24

About 2-[4-(3-chloro-2-fluoro-4-methylphenyl)-5-fluoro-1H-imidazol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;2-[5-(3-chloro-2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;5-[5-(3-chloro-2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-9-[5-chloro-2-(tetrazol-1-yl)phenyl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[2-[6-[5-chloro-2-(tetrazol-1-yl)phenyl]-4-oxo-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-2-yl]-5-fluoro-1H-imidazol-4-yl]spiro[1,4-dihydroquinoline-3,1'-cyclopropane]-2-one

2-[4-(3-chloro-2-fluoro-4-methylphenyl)-5-fluoro-1H-imidazol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;2-[5-(3-chloro-2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;5-[5-(3-chloro-2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-9-[5-chloro-2-(tetrazol-1-yl)phenyl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[2-[6-[5-chloro-2-(tetrazol-1-yl)phenyl]-4-oxo-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-2-yl]-5-fluoro-1H-imidazol-4-yl]spiro[1,4-dihydroquinoline-3,1'-cyclopropane]-2-one (PubChem CID 167613504) has the molecular formula C161H109Cl9F14N44O7 and a molecular weight of 3356.99 g/mol. Its IUPAC name is 2-[4-(3-chloro-2-fluoro-4-methylphenyl)-5-fluoro-1H-imidazol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;2-[5-(3-chloro-2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;5-[5-(3-chloro-2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-9-[5-chloro-2-(tetrazol-1-yl)phenyl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[2-[6-[5-chloro-2-(tetrazol-1-yl)phenyl]-4-oxo-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-2-yl]-5-fluoro-1H-imidazol-4-yl]spiro[1,4-dihydroquinoline-3,1'-cyclopropane]-2-one.

Molecular Properties

Compound Name2-[4-(3-chloro-2-fluoro-4-methylphenyl)-5-fluoro-1H-imidazol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;2-[5-(3-chloro-2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;5-[5-(3-chloro-2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-9-[5-chloro-2-(tetrazol-1-yl)phenyl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[2-[6-[5-chloro-2-(tetrazol-1-yl)phenyl]-4-oxo-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-2-yl]-5-fluoro-1H-imidazol-4-yl]spiro[1,4-dihydroquinoline-3,1'-cyclopropane]-2-one
PubChem CID167613504
Molecular FormulaC161H109Cl9F14N44O7
Molecular Weight3356.99 g/mol
Exact Mass3350.65
IUPAC Name2-[4-(3-chloro-2-fluoro-4-methylphenyl)-5-fluoro-1H-imidazol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;2-[5-(3-chloro-2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;5-[5-(3-chloro-2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-9-[5-chloro-2-(tetrazol-1-yl)phenyl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[2-[6-[5-chloro-2-(tetrazol-1-yl)phenyl]-4-oxo-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-2-yl]-5-fluoro-1H-imidazol-4-yl]spiro[1,4-dihydroquinoline-3,1'-cyclopropane]-2-one
SMILESCc1ccc(-c2cnc(C3C4CC4c4cc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)[nH]2)c(F)c1C(F)(F)F.Cc1ccc(-c2cnc(C3C4CC4c4cc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)[nH]2)c(F)c1Cl.Cc1ccc(-c2cnc(C3C4CC4c4nc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)[nH]2)c(F)c1Cl.Cc1ccc(-c2nc(C3C4CC4c4cc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)[nH]c2F)c(F)c1C(F)(F)F.Cc1ccc(-c2nc(C3C4CC4c4cc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)[nH]c2F)c(F)c1Cl.O=C1Nc2ccc(-c3nc(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)[nH]c3F)cc2CC12CC2
InChIInChI=1S/C30H22ClFN8O2.C27H17ClF5N7O.C27H18ClF4N7O.C26H17Cl2F2N7O.C26H18Cl2FN7O.C25H17Cl2FN8O/c31-17-2-4-22(39-13-33-37-38-39)18(10-17)15-8-23-19-11-20(19)26(40(23)24(41)9-15)28-35-25(27(32)36-28)14-1-3-21-16(7-14)12-30(5-6-30)29(42)34-21;1-11-2-4-14(22(29)21(11)27(31,32)33)23-25(30)36-26(35-23)24-17-9-16(17)19-6-12(7-20(41)40(19)24)15-8-13(28)3-5-18(15)39-10-34-37-38-39;1-12-2-4-15(24(29)23(12)27(30,31)32)19-10-33-26(35-19)25-18-9-17(18)21-6-13(7-22(40)39(21)25)16-8-14(28)3-5-20(16)38-11-34-36-37-38;1-11-2-4-14(22(29)21(11)28)23-25(30)33-26(32-23)24-17-9-16(17)19-6-12(7-20(38)37(19)24)15-8-13(27)3-5-18(15)36-10-31-34-35-36;1-12-2-4-15(24(29)23(12)28)19-10-30-26(32-19)25-18-9-17(18)21-6-13(7-22(37)36(21)25)16-8-14(27)3-5-20(16)35-11-31-33-34-35;1-11-2-4-13(22(28)21(11)27)18-9-29-24(31-18)23-14-7-15(14)25-32-17(8-20(37)36(23)25)16-6-12(26)3-5-19(16)35-10-30-33-34-35/h1-4,7-10,13,19-20,26H,5-6,11-12H2,(H,34,42)(H,35,36);2-8,10,16-17,24H,9H2,1H3,(H,35,36);2-8,10-11,17-18,25H,9H2,1H3,(H,33,35);2-8,10,16-17,24H,9H2,1H3,(H,32,33);2-8,10-11,17-18,25H,9H2,1H3,(H,30,32);2-6,8-10,14-15,23H,7H2,1H3,(H,29,31)
InChIKeyLJZSQXQLHBPZBW-UHFFFAOYSA-N
XLogP31.77
TPSA607.67 Ų
H-Bond Donors7
H-Bond Acceptors44
Rotatable Bonds24
Heavy Atoms235
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003356.99
LogP ≤ 531.77
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1044

Analyze 2-[4-(3-chloro-2-fluoro-4-methylphenyl)-5-fluoro-1H-imidazol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;2-[5-(3-chloro-2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;5-[5-(3-chloro-2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-9-[5-chloro-2-(tetrazol-1-yl)phenyl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[2-[6-[5-chloro-2-(tetrazol-1-yl)phenyl]-4-oxo-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-2-yl]-5-fluoro-1H-imidazol-4-yl]spiro[1,4-dihydroquinoline-3,1'-cyclopropane]-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chloro-2-fluoro-4-methylphenyl)-5-fluoro-1H-imidazol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;2-[5-(3-chloro-2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;5-[5-(3-chloro-2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-9-[5-chloro-2-(tetrazol-1-yl)phenyl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[2-[6-[5-chloro-2-(tetrazol-1-yl)phenyl]-4-oxo-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-2-yl]-5-fluoro-1H-imidazol-4-yl]spiro[1,4-dihydroquinoline-3,1'-cyclopropane]-2-one?
The IUPAC name of 2-[4-(3-chloro-2-fluoro-4-methylphenyl)-5-fluoro-1H-imidazol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;2-[5-(3-chloro-2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;5-[5-(3-chloro-2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-9-[5-chloro-2-(tetrazol-1-yl)phenyl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[2-[6-[5-chloro-2-(tetrazol-1-yl)phenyl]-4-oxo-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-2-yl]-5-fluoro-1H-imidazol-4-yl]spiro[1,4-dihydroquinoline-3,1'-cyclopropane]-2-one (CID 167613504) is 2-[4-(3-chloro-2-fluoro-4-methylphenyl)-5-fluoro-1H-imidazol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;2-[5-(3-chloro-2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;5-[5-(3-chloro-2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-9-[5-chloro-2-(tetrazol-1-yl)phenyl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[2-[6-[5-chloro-2-(tetrazol-1-yl)phenyl]-4-oxo-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-2-yl]-5-fluoro-1H-imidazol-4-yl]spiro[1,4-dihydroquinoline-3,1'-cyclopropane]-2-one.
What is the SMILES notation for 2-[4-(3-chloro-2-fluoro-4-methylphenyl)-5-fluoro-1H-imidazol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;2-[5-(3-chloro-2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;5-[5-(3-chloro-2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-9-[5-chloro-2-(tetrazol-1-yl)phenyl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[2-[6-[5-chloro-2-(tetrazol-1-yl)phenyl]-4-oxo-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-2-yl]-5-fluoro-1H-imidazol-4-yl]spiro[1,4-dihydroquinoline-3,1'-cyclopropane]-2-one?
The canonical SMILES for 2-[4-(3-chloro-2-fluoro-4-methylphenyl)-5-fluoro-1H-imidazol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;2-[5-(3-chloro-2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;5-[5-(3-chloro-2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-9-[5-chloro-2-(tetrazol-1-yl)phenyl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[2-[6-[5-chloro-2-(tetrazol-1-yl)phenyl]-4-oxo-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-2-yl]-5-fluoro-1H-imidazol-4-yl]spiro[1,4-dihydroquinoline-3,1'-cyclopropane]-2-one is Cc1ccc(-c2cnc(C3C4CC4c4cc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)[nH]2)c(F)c1C(F)(F)F.Cc1ccc(-c2cnc(C3C4CC4c4cc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)[nH]2)c(F)c1Cl.Cc1ccc(-c2cnc(C3C4CC4c4nc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)[nH]2)c(F)c1Cl.Cc1ccc(-c2nc(C3C4CC4c4cc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)[nH]c2F)c(F)c1C(F)(F)F.Cc1ccc(-c2nc(C3C4CC4c4cc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)[nH]c2F)c(F)c1Cl.O=C1Nc2ccc(-c3nc(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)[nH]c3F)cc2CC12CC2.
What is the InChIKey of 2-[4-(3-chloro-2-fluoro-4-methylphenyl)-5-fluoro-1H-imidazol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;2-[5-(3-chloro-2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;5-[5-(3-chloro-2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-9-[5-chloro-2-(tetrazol-1-yl)phenyl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[2-[6-[5-chloro-2-(tetrazol-1-yl)phenyl]-4-oxo-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-2-yl]-5-fluoro-1H-imidazol-4-yl]spiro[1,4-dihydroquinoline-3,1'-cyclopropane]-2-one?
The InChIKey is LJZSQXQLHBPZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22ClFN8O2.C27H17ClF5N7O.C27H18ClF4N7O.C26H17Cl2F2N7O.C26H18Cl2FN7O.C25H17Cl2FN8O/c31-17-2-4-22(39-13-33-37-38-39)18(10-17)15-8-23-19-11-20(19)26(40(23)24(41)9-15)28-35-25(27(32)36-28)14-1-3-21-16(7-14)12-30(5-6-30)29(42)34-21;1-11-2-4-14(22(29)21(11)27(31,32)33)23-25(30)36-26(35-23)24-17-9-16(17)19-6-12(7-20(41)40(19)24)15-8-13(28)3-5-18(15)39-10-34-37-38-39;1-12-2-4-15(24(29)23(12)27(30,31)32)19-10-33-26(35-19)25-18-9-17(18)21-6-13(7-22(40)39(21)25)16-8-14(28)3-5-20(16)38-11-34-36-37-38;1-11-2-4-14(22(29)21(11)28)23-25(30)33-26(32-23)24-17-9-16(17)19-6-12(7-20(38)37(19)24)15-8-13(27)3-5-18(15)36-10-31-34-35-36;1-12-2-4-15(24(29)23(12)28)19-10-30-26(32-19)25-18-9-17(18)21-6-13(7-22(37)36(21)25)16-8-14(27)3-5-20(16)35-11-31-33-34-35;1-11-2-4-13(22(28)21(11)27)18-9-29-24(31-18)23-14-7-15(14)25-32-17(8-20(37)36(23)25)16-6-12(26)3-5-19(16)35-10-30-33-34-35/h1-4,7-10,13,19-20,26H,5-6,11-12H2,(H,34,42)(H,35,36);2-8,10,16-17,24H,9H2,1H3,(H,35,36);2-8,10-11,17-18,25H,9H2,1H3,(H,33,35);2-8,10,16-17,24H,9H2,1H3,(H,32,33);2-8,10-11,17-18,25H,9H2,1H3,(H,30,32);2-6,8-10,14-15,23H,7H2,1H3,(H,29,31).
What are the key properties of 2-[4-(3-chloro-2-fluoro-4-methylphenyl)-5-fluoro-1H-imidazol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;2-[5-(3-chloro-2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;5-[5-(3-chloro-2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-9-[5-chloro-2-(tetrazol-1-yl)phenyl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[2-[6-[5-chloro-2-(tetrazol-1-yl)phenyl]-4-oxo-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-2-yl]-5-fluoro-1H-imidazol-4-yl]spiro[1,4-dihydroquinoline-3,1'-cyclopropane]-2-one?
2-[4-(3-chloro-2-fluoro-4-methylphenyl)-5-fluoro-1H-imidazol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;2-[5-(3-chloro-2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;5-[5-(3-chloro-2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-9-[5-chloro-2-(tetrazol-1-yl)phenyl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[2-[6-[5-chloro-2-(tetrazol-1-yl)phenyl]-4-oxo-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-2-yl]-5-fluoro-1H-imidazol-4-yl]spiro[1,4-dihydroquinoline-3,1'-cyclopropane]-2-one has a molecular weight of 3356.99 g/mol, XLogP of 31.77, 24 rotatable bonds, 7 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chloro-2-fluoro-4-methylphenyl)-5-fluoro-1H-imidazol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;2-[5-(3-chloro-2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;5-[5-(3-chloro-2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-9-[5-chloro-2-(tetrazol-1-yl)phenyl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[2-[6-[5-chloro-2-(tetrazol-1-yl)phenyl]-4-oxo-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-2-yl]-5-fluoro-1H-imidazol-4-yl]spiro[1,4-dihydroquinoline-3,1'-cyclopropane]-2-one is sourced from PubChem (CID 167613504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).