2-[4-(3-chloro-2-fluoro-4-methylphenyl)-5-fluoro-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;2-[4-(3-chloro-2-fluoro-4-methylphenyl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;5-[4-(3-chloro-2-fluoro-4-methylphenyl)-3H-pyrrol-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-(6-methylidenespiro[5,8-dihydronaphthalene-7,1'-cyclopropane]-2-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3-methylidenespiro[4H-chromene-2,1'-cyclopropane]-7-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(6-methylidenespiro[5,8-dihydronaphthalene-7,1'-cyclopropane]-2-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one

C178H133Cl9F5N37O7 — CID 167581691

IUPAC2-[4-(3-chloro-2-fluoro-4-methylphenyl)-5-fluoro-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;2-[4-(3-chloro-2-fluoro-4-methylphenyl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;5-[4-(3-chloro-2-fluoro-4-methylphenyl)-3H-pyrrol-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-(6-methylidenespiro[5,8-dihydronaphthalene-7,1'-cyclopropane]-2-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3-methylidenespiro[4H-chromene-2,1'-cyclopropane]-7-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(6-methylidenespiro[5,8-dihydronaphthalene-7,1'-cyclopropane]-2-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
SMILESC=C1Cc2ccc(C3=C(F)N=C(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)C3)cc2CC12CC2.C=C1Cc2ccc(C3=CN=C(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)C3)cc2CC12CC2.C=C1Cc2ccc(C3=CN=C(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)C3)cc2OC12CC2.Cc1ccc(C2=C(F)N=C(C3C4CC4c4cc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)C2)c(F)c1Cl.Cc1ccc(C2=CN=C(C3C4CC4c4cc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)C2)c(F)c1Cl.Cc1ccc(C2=CN=C(C3C4CC4c4nc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)C2)c(F)c1Cl
InChIInChI=1S/C33H26ClFN6O.C33H27ClN6O.C32H25ClN6O2.C27H18Cl2F2N6O.C27H19Cl2FN6O.C26H18Cl2FN7O/c1-17-8-18-2-3-19(9-21(18)15-33(17)6-7-33)24-14-27(37-32(24)35)31-26-13-25(26)29-10-20(11-30(42)41(29)31)23-12-22(34)4-5-28(23)40-16-36-38-39-40;1-18-8-19-2-3-20(9-22(19)15-33(18)6-7-33)23-10-28(35-16-23)32-27-14-26(27)30-11-21(12-31(41)40(30)32)25-13-24(34)4-5-29(25)39-17-36-37-38-39;1-17-8-19-3-2-18(11-29(19)41-32(17)6-7-32)21-9-26(34-15-21)31-25-14-24(25)28-10-20(12-30(40)39(28)31)23-13-22(33)4-5-27(23)38-16-35-36-37-38;1-12-2-4-15(25(30)24(12)29)19-10-20(33-27(19)31)26-18-9-17(18)22-6-13(7-23(38)37(22)26)16-8-14(28)3-5-21(16)36-11-32-34-35-36;1-13-2-4-17(26(30)25(13)29)15-6-21(31-11-15)27-20-10-19(20)23-7-14(8-24(37)36(23)27)18-9-16(28)3-5-22(18)35-12-32-33-34-35;1-12-2-4-15(24(29)23(12)28)13-6-20(30-10-13)25-16-8-17(16)26-32-19(9-22(37)36(25)26)18-7-14(27)3-5-21(18)35-11-31-33-34-35/h2-5,9-12,16,25-26,31H,1,6-8,13-15H2;2-5,9,11-13,16-17,26-27,32H,1,6-8,10,14-15H2;2-5,10-13,15-16,24-25,31H,1,6-9,14H2;2-8,11,17-18,26H,9-10H2,1H3;2-5,7-9,11-12,19-20,27H,6,10H2,1H3;2-5,7,9-11,16-17,25H,6,8H2,1H3
InChIKeyHGJKJYGFYKPELZ-UHFFFAOYSA-N
MW3316.34 g/mol
LogP35.32
Rot. Bonds24

About 2-[4-(3-chloro-2-fluoro-4-methylphenyl)-5-fluoro-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;2-[4-(3-chloro-2-fluoro-4-methylphenyl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;5-[4-(3-chloro-2-fluoro-4-methylphenyl)-3H-pyrrol-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-(6-methylidenespiro[5,8-dihydronaphthalene-7,1'-cyclopropane]-2-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3-methylidenespiro[4H-chromene-2,1'-cyclopropane]-7-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(6-methylidenespiro[5,8-dihydronaphthalene-7,1'-cyclopropane]-2-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one

2-[4-(3-chloro-2-fluoro-4-methylphenyl)-5-fluoro-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;2-[4-(3-chloro-2-fluoro-4-methylphenyl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;5-[4-(3-chloro-2-fluoro-4-methylphenyl)-3H-pyrrol-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-(6-methylidenespiro[5,8-dihydronaphthalene-7,1'-cyclopropane]-2-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3-methylidenespiro[4H-chromene-2,1'-cyclopropane]-7-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(6-methylidenespiro[5,8-dihydronaphthalene-7,1'-cyclopropane]-2-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one (PubChem CID 167581691) has the molecular formula C178H133Cl9F5N37O7 and a molecular weight of 3316.34 g/mol. Its IUPAC name is 2-[4-(3-chloro-2-fluoro-4-methylphenyl)-5-fluoro-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;2-[4-(3-chloro-2-fluoro-4-methylphenyl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;5-[4-(3-chloro-2-fluoro-4-methylphenyl)-3H-pyrrol-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-(6-methylidenespiro[5,8-dihydronaphthalene-7,1'-cyclopropane]-2-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3-methylidenespiro[4H-chromene-2,1'-cyclopropane]-7-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(6-methylidenespiro[5,8-dihydronaphthalene-7,1'-cyclopropane]-2-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one.

Molecular Properties

Compound Name2-[4-(3-chloro-2-fluoro-4-methylphenyl)-5-fluoro-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;2-[4-(3-chloro-2-fluoro-4-methylphenyl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;5-[4-(3-chloro-2-fluoro-4-methylphenyl)-3H-pyrrol-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-(6-methylidenespiro[5,8-dihydronaphthalene-7,1'-cyclopropane]-2-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3-methylidenespiro[4H-chromene-2,1'-cyclopropane]-7-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(6-methylidenespiro[5,8-dihydronaphthalene-7,1'-cyclopropane]-2-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
PubChem CID167581691
Molecular FormulaC178H133Cl9F5N37O7
Molecular Weight3316.34 g/mol
Exact Mass3309.83
IUPAC Name2-[4-(3-chloro-2-fluoro-4-methylphenyl)-5-fluoro-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;2-[4-(3-chloro-2-fluoro-4-methylphenyl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;5-[4-(3-chloro-2-fluoro-4-methylphenyl)-3H-pyrrol-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-(6-methylidenespiro[5,8-dihydronaphthalene-7,1'-cyclopropane]-2-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3-methylidenespiro[4H-chromene-2,1'-cyclopropane]-7-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(6-methylidenespiro[5,8-dihydronaphthalene-7,1'-cyclopropane]-2-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
SMILESC=C1Cc2ccc(C3=C(F)N=C(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)C3)cc2CC12CC2.C=C1Cc2ccc(C3=CN=C(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)C3)cc2CC12CC2.C=C1Cc2ccc(C3=CN=C(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)C3)cc2OC12CC2.Cc1ccc(C2=C(F)N=C(C3C4CC4c4cc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)C2)c(F)c1Cl.Cc1ccc(C2=CN=C(C3C4CC4c4cc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)C2)c(F)c1Cl.Cc1ccc(C2=CN=C(C3C4CC4c4nc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)C2)c(F)c1Cl
InChIInChI=1S/C33H26ClFN6O.C33H27ClN6O.C32H25ClN6O2.C27H18Cl2F2N6O.C27H19Cl2FN6O.C26H18Cl2FN7O/c1-17-8-18-2-3-19(9-21(18)15-33(17)6-7-33)24-14-27(37-32(24)35)31-26-13-25(26)29-10-20(11-30(42)41(29)31)23-12-22(34)4-5-28(23)40-16-36-38-39-40;1-18-8-19-2-3-20(9-22(19)15-33(18)6-7-33)23-10-28(35-16-23)32-27-14-26(27)30-11-21(12-31(41)40(30)32)25-13-24(34)4-5-29(25)39-17-36-37-38-39;1-17-8-19-3-2-18(11-29(19)41-32(17)6-7-32)21-9-26(34-15-21)31-25-14-24(25)28-10-20(12-30(40)39(28)31)23-13-22(33)4-5-27(23)38-16-35-36-37-38;1-12-2-4-15(25(30)24(12)29)19-10-20(33-27(19)31)26-18-9-17(18)22-6-13(7-23(38)37(22)26)16-8-14(28)3-5-21(16)36-11-32-34-35-36;1-13-2-4-17(26(30)25(13)29)15-6-21(31-11-15)27-20-10-19(20)23-7-14(8-24(37)36(23)27)18-9-16(28)3-5-22(18)35-12-32-33-34-35;1-12-2-4-15(24(29)23(12)28)13-6-20(30-10-13)25-16-8-17(16)26-32-19(9-22(37)36(25)26)18-7-14(27)3-5-21(18)35-11-31-33-34-35/h2-5,9-12,16,25-26,31H,1,6-8,13-15H2;2-5,9,11-13,16-17,26-27,32H,1,6-8,10,14-15H2;2-5,10-13,15-16,24-25,31H,1,6-9,14H2;2-8,11,17-18,26H,9-10H2,1H3;2-5,7-9,11-12,19-20,27H,6,10H2,1H3;2-5,7,9-11,16-17,25H,6,8H2,1H3
InChIKeyHGJKJYGFYKPELZ-UHFFFAOYSA-N
XLogP35.32
TPSA489.88 Ų
H-Bond Donors
H-Bond Acceptors44
Rotatable Bonds24
Heavy Atoms236
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003316.34
LogP ≤ 535.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1044

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 2-[4-(3-chloro-2-fluoro-4-methylphenyl)-5-fluoro-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;2-[4-(3-chloro-2-fluoro-4-methylphenyl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;5-[4-(3-chloro-2-fluoro-4-methylphenyl)-3H-pyrrol-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-(6-methylidenespiro[5,8-dihydronaphthalene-7,1'-cyclopropane]-2-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3-methylidenespiro[4H-chromene-2,1'-cyclopropane]-7-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(6-methylidenespiro[5,8-dihydronaphthalene-7,1'-cyclopropane]-2-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-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-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;2-[4-(3-chloro-2-fluoro-4-methylphenyl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;5-[4-(3-chloro-2-fluoro-4-methylphenyl)-3H-pyrrol-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-(6-methylidenespiro[5,8-dihydronaphthalene-7,1'-cyclopropane]-2-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3-methylidenespiro[4H-chromene-2,1'-cyclopropane]-7-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(6-methylidenespiro[5,8-dihydronaphthalene-7,1'-cyclopropane]-2-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one?
The IUPAC name of 2-[4-(3-chloro-2-fluoro-4-methylphenyl)-5-fluoro-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;2-[4-(3-chloro-2-fluoro-4-methylphenyl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;5-[4-(3-chloro-2-fluoro-4-methylphenyl)-3H-pyrrol-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-(6-methylidenespiro[5,8-dihydronaphthalene-7,1'-cyclopropane]-2-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3-methylidenespiro[4H-chromene-2,1'-cyclopropane]-7-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(6-methylidenespiro[5,8-dihydronaphthalene-7,1'-cyclopropane]-2-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one (CID 167581691) is 2-[4-(3-chloro-2-fluoro-4-methylphenyl)-5-fluoro-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;2-[4-(3-chloro-2-fluoro-4-methylphenyl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;5-[4-(3-chloro-2-fluoro-4-methylphenyl)-3H-pyrrol-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-(6-methylidenespiro[5,8-dihydronaphthalene-7,1'-cyclopropane]-2-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3-methylidenespiro[4H-chromene-2,1'-cyclopropane]-7-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(6-methylidenespiro[5,8-dihydronaphthalene-7,1'-cyclopropane]-2-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one.
What is the SMILES notation for 2-[4-(3-chloro-2-fluoro-4-methylphenyl)-5-fluoro-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;2-[4-(3-chloro-2-fluoro-4-methylphenyl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;5-[4-(3-chloro-2-fluoro-4-methylphenyl)-3H-pyrrol-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-(6-methylidenespiro[5,8-dihydronaphthalene-7,1'-cyclopropane]-2-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3-methylidenespiro[4H-chromene-2,1'-cyclopropane]-7-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(6-methylidenespiro[5,8-dihydronaphthalene-7,1'-cyclopropane]-2-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one?
The canonical SMILES for 2-[4-(3-chloro-2-fluoro-4-methylphenyl)-5-fluoro-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;2-[4-(3-chloro-2-fluoro-4-methylphenyl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;5-[4-(3-chloro-2-fluoro-4-methylphenyl)-3H-pyrrol-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-(6-methylidenespiro[5,8-dihydronaphthalene-7,1'-cyclopropane]-2-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3-methylidenespiro[4H-chromene-2,1'-cyclopropane]-7-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(6-methylidenespiro[5,8-dihydronaphthalene-7,1'-cyclopropane]-2-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one is C=C1Cc2ccc(C3=C(F)N=C(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)C3)cc2CC12CC2.C=C1Cc2ccc(C3=CN=C(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)C3)cc2CC12CC2.C=C1Cc2ccc(C3=CN=C(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)C3)cc2OC12CC2.Cc1ccc(C2=C(F)N=C(C3C4CC4c4cc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)C2)c(F)c1Cl.Cc1ccc(C2=CN=C(C3C4CC4c4cc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)C2)c(F)c1Cl.Cc1ccc(C2=CN=C(C3C4CC4c4nc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)C2)c(F)c1Cl.
What is the InChIKey of 2-[4-(3-chloro-2-fluoro-4-methylphenyl)-5-fluoro-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;2-[4-(3-chloro-2-fluoro-4-methylphenyl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;5-[4-(3-chloro-2-fluoro-4-methylphenyl)-3H-pyrrol-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-(6-methylidenespiro[5,8-dihydronaphthalene-7,1'-cyclopropane]-2-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3-methylidenespiro[4H-chromene-2,1'-cyclopropane]-7-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(6-methylidenespiro[5,8-dihydronaphthalene-7,1'-cyclopropane]-2-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one?
The InChIKey is HGJKJYGFYKPELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H26ClFN6O.C33H27ClN6O.C32H25ClN6O2.C27H18Cl2F2N6O.C27H19Cl2FN6O.C26H18Cl2FN7O/c1-17-8-18-2-3-19(9-21(18)15-33(17)6-7-33)24-14-27(37-32(24)35)31-26-13-25(26)29-10-20(11-30(42)41(29)31)23-12-22(34)4-5-28(23)40-16-36-38-39-40;1-18-8-19-2-3-20(9-22(19)15-33(18)6-7-33)23-10-28(35-16-23)32-27-14-26(27)30-11-21(12-31(41)40(30)32)25-13-24(34)4-5-29(25)39-17-36-37-38-39;1-17-8-19-3-2-18(11-29(19)41-32(17)6-7-32)21-9-26(34-15-21)31-25-14-24(25)28-10-20(12-30(40)39(28)31)23-13-22(33)4-5-27(23)38-16-35-36-37-38;1-12-2-4-15(25(30)24(12)29)19-10-20(33-27(19)31)26-18-9-17(18)22-6-13(7-23(38)37(22)26)16-8-14(28)3-5-21(16)36-11-32-34-35-36;1-13-2-4-17(26(30)25(13)29)15-6-21(31-11-15)27-20-10-19(20)23-7-14(8-24(37)36(23)27)18-9-16(28)3-5-22(18)35-12-32-33-34-35;1-12-2-4-15(24(29)23(12)28)13-6-20(30-10-13)25-16-8-17(16)26-32-19(9-22(37)36(25)26)18-7-14(27)3-5-21(18)35-11-31-33-34-35/h2-5,9-12,16,25-26,31H,1,6-8,13-15H2;2-5,9,11-13,16-17,26-27,32H,1,6-8,10,14-15H2;2-5,10-13,15-16,24-25,31H,1,6-9,14H2;2-8,11,17-18,26H,9-10H2,1H3;2-5,7-9,11-12,19-20,27H,6,10H2,1H3;2-5,7,9-11,16-17,25H,6,8H2,1H3.
What are the key properties of 2-[4-(3-chloro-2-fluoro-4-methylphenyl)-5-fluoro-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;2-[4-(3-chloro-2-fluoro-4-methylphenyl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;5-[4-(3-chloro-2-fluoro-4-methylphenyl)-3H-pyrrol-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-(6-methylidenespiro[5,8-dihydronaphthalene-7,1'-cyclopropane]-2-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3-methylidenespiro[4H-chromene-2,1'-cyclopropane]-7-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(6-methylidenespiro[5,8-dihydronaphthalene-7,1'-cyclopropane]-2-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one?
2-[4-(3-chloro-2-fluoro-4-methylphenyl)-5-fluoro-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;2-[4-(3-chloro-2-fluoro-4-methylphenyl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;5-[4-(3-chloro-2-fluoro-4-methylphenyl)-3H-pyrrol-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-(6-methylidenespiro[5,8-dihydronaphthalene-7,1'-cyclopropane]-2-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3-methylidenespiro[4H-chromene-2,1'-cyclopropane]-7-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(6-methylidenespiro[5,8-dihydronaphthalene-7,1'-cyclopropane]-2-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one has a molecular weight of 3316.34 g/mol, XLogP of 35.32, 24 rotatable bonds, 0 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-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;2-[4-(3-chloro-2-fluoro-4-methylphenyl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;5-[4-(3-chloro-2-fluoro-4-methylphenyl)-3H-pyrrol-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-(6-methylidenespiro[5,8-dihydronaphthalene-7,1'-cyclopropane]-2-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3-methylidenespiro[4H-chromene-2,1'-cyclopropane]-7-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(6-methylidenespiro[5,8-dihydronaphthalene-7,1'-cyclopropane]-2-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one is sourced from PubChem (CID 167581691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).