6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-fluoro-4-[4-methyl-3-(trifluoromethyl)phenyl]-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-[4-methyl-3-(trifluoromethoxy)phenyl]-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-[4-methyl-3-(trifluoromethyl)phenyl]-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one

C137H93Cl5F19N33O6 — CID 167577867

IUPAC6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-fluoro-4-[4-methyl-3-(trifluoromethyl)phenyl]-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-[4-methyl-3-(trifluoromethoxy)phenyl]-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-[4-methyl-3-(trifluoromethyl)phenyl]-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one
SMILESCc1ccc(C2=C(F)N=C(C3C4CC4c4cc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)C2)c(F)c1C(F)(F)F.Cc1ccc(C2=C(F)N=C(C3C4CC4c4nc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)C2)cc1C(F)(F)F.Cc1ccc(C2=CN=C(C3C4CC4c4cc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)C2)c(F)c1C(F)(F)F.Cc1ccc(C2=CN=C(C3C4CC4c4nc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)C2)cc1C(F)(F)F.Cc1ccc(C2=CN=C(C3C4CC4c4nc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)C2)cc1OC(F)(F)F
InChIInChI=1S/C28H18ClF5N6O.C28H19ClF4N6O.C27H18ClF4N7O.C27H19ClF3N7O2.C27H19ClF3N7O/c1-12-2-4-15(25(30)24(12)28(32,33)34)19-10-20(36-27(19)31)26-18-9-17(18)22-6-13(7-23(41)40(22)26)16-8-14(29)3-5-21(16)39-11-35-37-38-39;1-13-2-4-17(26(30)25(13)28(31,32)33)15-6-21(34-11-15)27-20-10-19(20)23-7-14(8-24(40)39(23)27)18-9-16(29)3-5-22(18)38-12-35-36-37-38;1-12-2-3-13(6-19(12)27(30,31)32)15-9-21(34-25(15)29)24-16-8-17(16)26-35-20(10-23(40)39(24)26)18-7-14(28)4-5-22(18)38-11-33-36-37-38;1-13-2-3-14(7-23(13)40-27(29,30)31)15-6-21(32-11-15)25-17-9-18(17)26-34-20(10-24(39)38(25)26)19-8-16(28)4-5-22(19)37-12-33-35-36-37;1-13-2-3-14(6-20(13)27(29,30)31)15-7-22(32-11-15)25-17-9-18(17)26-34-21(10-24(39)38(25)26)19-8-16(28)4-5-23(19)37-12-33-35-36-37/h2-8,11,17-18,26H,9-10H2,1H3;2-5,7-9,11-12,19-20,27H,6,10H2,1H3;2-7,10-11,16-17,24H,8-9H2,1H3;2-5,7-8,10-12,17-18,25H,6,9H2,1H3;2-6,8,10-12,17-18,25H,7,9H2,1H3
InChIKeyGTXLSJKLUFOQQH-UHFFFAOYSA-N
MW2835.70 g/mol
LogP29.02
Rot. Bonds21

About 6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-fluoro-4-[4-methyl-3-(trifluoromethyl)phenyl]-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-[4-methyl-3-(trifluoromethoxy)phenyl]-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-[4-methyl-3-(trifluoromethyl)phenyl]-3H-pyrrol-2-yl]-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]-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-fluoro-4-[4-methyl-3-(trifluoromethyl)phenyl]-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-[4-methyl-3-(trifluoromethoxy)phenyl]-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-[4-methyl-3-(trifluoromethyl)phenyl]-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one (PubChem CID 167577867) has the molecular formula C137H93Cl5F19N33O6 and a molecular weight of 2835.70 g/mol. Its IUPAC name is 6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-fluoro-4-[4-methyl-3-(trifluoromethyl)phenyl]-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-[4-methyl-3-(trifluoromethoxy)phenyl]-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-[4-methyl-3-(trifluoromethyl)phenyl]-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one.

Molecular Properties

Compound Name6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-fluoro-4-[4-methyl-3-(trifluoromethyl)phenyl]-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-[4-methyl-3-(trifluoromethoxy)phenyl]-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-[4-methyl-3-(trifluoromethyl)phenyl]-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one
PubChem CID167577867
Molecular FormulaC137H93Cl5F19N33O6
Molecular Weight2835.70 g/mol
Exact Mass2831.61
IUPAC Name6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-fluoro-4-[4-methyl-3-(trifluoromethyl)phenyl]-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-[4-methyl-3-(trifluoromethoxy)phenyl]-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-[4-methyl-3-(trifluoromethyl)phenyl]-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one
SMILESCc1ccc(C2=C(F)N=C(C3C4CC4c4cc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)C2)c(F)c1C(F)(F)F.Cc1ccc(C2=C(F)N=C(C3C4CC4c4nc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)C2)cc1C(F)(F)F.Cc1ccc(C2=CN=C(C3C4CC4c4cc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)C2)c(F)c1C(F)(F)F.Cc1ccc(C2=CN=C(C3C4CC4c4nc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)C2)cc1C(F)(F)F.Cc1ccc(C2=CN=C(C3C4CC4c4nc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)C2)cc1OC(F)(F)F
InChIInChI=1S/C28H18ClF5N6O.C28H19ClF4N6O.C27H18ClF4N7O.C27H19ClF3N7O2.C27H19ClF3N7O/c1-12-2-4-15(25(30)24(12)28(32,33)34)19-10-20(36-27(19)31)26-18-9-17(18)22-6-13(7-23(41)40(22)26)16-8-14(29)3-5-21(16)39-11-35-37-38-39;1-13-2-4-17(26(30)25(13)28(31,32)33)15-6-21(34-11-15)27-20-10-19(20)23-7-14(8-24(40)39(23)27)18-9-16(29)3-5-22(18)38-12-35-36-37-38;1-12-2-3-13(6-19(12)27(30,31)32)15-9-21(34-25(15)29)24-16-8-17(16)26-35-20(10-23(40)39(24)26)18-7-14(28)4-5-22(18)38-11-33-36-37-38;1-13-2-3-14(7-23(13)40-27(29,30)31)15-6-21(32-11-15)25-17-9-18(17)26-34-20(10-24(39)38(25)26)19-8-16(28)4-5-22(19)37-12-33-35-36-37;1-13-2-3-14(6-20(13)27(29,30)31)15-7-22(32-11-15)25-17-9-18(17)26-34-21(10-24(39)38(25)26)19-8-16(28)4-5-23(19)37-12-33-35-36-37/h2-8,11,17-18,26H,9-10H2,1H3;2-5,7-9,11-12,19-20,27H,6,10H2,1H3;2-7,10-11,16-17,24H,8-9H2,1H3;2-5,7-8,10-12,17-18,25H,6,9H2,1H3;2-6,8,10-12,17-18,25H,7,9H2,1H3
InChIKeyGTXLSJKLUFOQQH-UHFFFAOYSA-N
XLogP29.02
TPSA437.70 Ų
H-Bond Donors
H-Bond Acceptors39
Rotatable Bonds21
Heavy Atoms200
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002835.70
LogP ≤ 529.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of 6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-fluoro-4-[4-methyl-3-(trifluoromethyl)phenyl]-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-[4-methyl-3-(trifluoromethoxy)phenyl]-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-[4-methyl-3-(trifluoromethyl)phenyl]-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one?
The IUPAC name of 6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-fluoro-4-[4-methyl-3-(trifluoromethyl)phenyl]-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-[4-methyl-3-(trifluoromethoxy)phenyl]-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-[4-methyl-3-(trifluoromethyl)phenyl]-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one (CID 167577867) is 6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-fluoro-4-[4-methyl-3-(trifluoromethyl)phenyl]-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-[4-methyl-3-(trifluoromethoxy)phenyl]-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-[4-methyl-3-(trifluoromethyl)phenyl]-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one.
What is the SMILES notation for 6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-fluoro-4-[4-methyl-3-(trifluoromethyl)phenyl]-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-[4-methyl-3-(trifluoromethoxy)phenyl]-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-[4-methyl-3-(trifluoromethyl)phenyl]-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one?
The canonical SMILES for 6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-fluoro-4-[4-methyl-3-(trifluoromethyl)phenyl]-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-[4-methyl-3-(trifluoromethoxy)phenyl]-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-[4-methyl-3-(trifluoromethyl)phenyl]-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one is Cc1ccc(C2=C(F)N=C(C3C4CC4c4cc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)C2)c(F)c1C(F)(F)F.Cc1ccc(C2=C(F)N=C(C3C4CC4c4nc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)C2)cc1C(F)(F)F.Cc1ccc(C2=CN=C(C3C4CC4c4cc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)C2)c(F)c1C(F)(F)F.Cc1ccc(C2=CN=C(C3C4CC4c4nc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)C2)cc1C(F)(F)F.Cc1ccc(C2=CN=C(C3C4CC4c4nc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)C2)cc1OC(F)(F)F.
What is the InChIKey of 6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-fluoro-4-[4-methyl-3-(trifluoromethyl)phenyl]-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-[4-methyl-3-(trifluoromethoxy)phenyl]-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-[4-methyl-3-(trifluoromethyl)phenyl]-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one?
The InChIKey is GTXLSJKLUFOQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18ClF5N6O.C28H19ClF4N6O.C27H18ClF4N7O.C27H19ClF3N7O2.C27H19ClF3N7O/c1-12-2-4-15(25(30)24(12)28(32,33)34)19-10-20(36-27(19)31)26-18-9-17(18)22-6-13(7-23(41)40(22)26)16-8-14(29)3-5-21(16)39-11-35-37-38-39;1-13-2-4-17(26(30)25(13)28(31,32)33)15-6-21(34-11-15)27-20-10-19(20)23-7-14(8-24(40)39(23)27)18-9-16(29)3-5-22(18)38-12-35-36-37-38;1-12-2-3-13(6-19(12)27(30,31)32)15-9-21(34-25(15)29)24-16-8-17(16)26-35-20(10-23(40)39(24)26)18-7-14(28)4-5-22(18)38-11-33-36-37-38;1-13-2-3-14(7-23(13)40-27(29,30)31)15-6-21(32-11-15)25-17-9-18(17)26-34-20(10-24(39)38(25)26)19-8-16(28)4-5-22(19)37-12-33-35-36-37;1-13-2-3-14(6-20(13)27(29,30)31)15-7-22(32-11-15)25-17-9-18(17)26-34-21(10-24(39)38(25)26)19-8-16(28)4-5-23(19)37-12-33-35-36-37/h2-8,11,17-18,26H,9-10H2,1H3;2-5,7-9,11-12,19-20,27H,6,10H2,1H3;2-7,10-11,16-17,24H,8-9H2,1H3;2-5,7-8,10-12,17-18,25H,6,9H2,1H3;2-6,8,10-12,17-18,25H,7,9H2,1H3.
What are the key properties of 6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-fluoro-4-[4-methyl-3-(trifluoromethyl)phenyl]-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-[4-methyl-3-(trifluoromethoxy)phenyl]-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-[4-methyl-3-(trifluoromethyl)phenyl]-3H-pyrrol-2-yl]-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]-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-fluoro-4-[4-methyl-3-(trifluoromethyl)phenyl]-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-[4-methyl-3-(trifluoromethoxy)phenyl]-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-[4-methyl-3-(trifluoromethyl)phenyl]-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one has a molecular weight of 2835.70 g/mol, XLogP of 29.02, 21 rotatable bonds, 0 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-fluoro-4-[4-methyl-3-(trifluoromethyl)phenyl]-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-[4-methyl-3-(trifluoromethoxy)phenyl]-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-[4-methyl-3-(trifluoromethyl)phenyl]-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one is sourced from PubChem (CID 167577867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).