6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-chloro-4-(1-fluoro-6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-fluoro-4-(1-fluoro-6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[4-(1-fluoro-6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[4-(3-methylidene-4H-thiochromen-7-yl)-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-(trifluoromethoxy)phenyl]-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one

C154H111Cl10F8N27O6S — CID 167650289

IUPAC6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-chloro-4-(1-fluoro-6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-fluoro-4-(1-fluoro-6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[4-(1-fluoro-6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[4-(3-methylidene-4H-thiochromen-7-yl)-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-(trifluoromethoxy)phenyl]-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one
SMILESC=C1CCc2c(ccc(C3=C(Cl)N=C(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cc(Cl)nn6)cc(=O)n54)C3)c2F)C1.C=C1CCc2c(ccc(C3=C(F)N=C(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cc(Cl)nn6)cc(=O)n54)C3)c2F)C1.C=C1CCc2c(ccc(C3=CN=C(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cc(Cl)nn6)cc(=O)n54)C3)c2F)C1.C=C1CSc2cc(C3=CN=C(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cc(Cl)nn6)cc(=O)n54)C3)ccc2C1.Cc1ccc(C2=C(F)N=C(C3C4CC4c4nc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)C2)cc1OC(F)(F)F
InChIInChI=1S/C32H23Cl3FN5O.C32H23Cl2F2N5O.C32H24Cl2FN5O.C31H23Cl2N5OS.C27H18ClF4N7O2/c1-15-2-5-19-16(8-15)3-6-20(30(19)36)24-13-25(37-32(24)35)31-23-12-22(23)27-9-17(10-29(42)41(27)31)21-11-18(33)4-7-26(21)40-14-28(34)38-39-40;1-15-2-5-19-16(8-15)3-6-20(30(19)35)24-13-25(37-32(24)36)31-23-12-22(23)27-9-17(10-29(42)41(27)31)21-11-18(33)4-7-26(21)40-14-28(34)38-39-40;1-16-2-5-21-17(8-16)3-6-22(31(21)35)19-9-26(36-14-19)32-25-13-24(25)28-10-18(11-30(41)40(28)32)23-12-20(33)4-7-27(23)39-15-29(34)37-38-39;1-16-6-18-3-2-17(9-28(18)40-15-16)20-7-25(34-13-20)31-24-12-23(24)27-8-19(10-30(39)38(27)31)22-11-21(32)4-5-26(22)37-14-29(33)35-36-37;1-12-2-3-13(6-22(12)41-27(30,31)32)15-9-20(34-25(15)29)24-16-8-17(16)26-35-19(10-23(40)39(24)26)18-7-14(28)4-5-21(18)38-11-33-36-37-38/h2*3-4,6-7,9-11,14,22-23,31H,1-2,5,8,12-13H2;3-4,6-7,10-12,14-15,24-25,32H,1-2,5,8-9,13H2;2-5,8-11,13-14,23-24,31H,1,6-7,12,15H2;2-7,10-11,16-17,24H,8-9H2,1H3
InChIKeyQMAKMNYAGQTCST-UHFFFAOYSA-N
MW2974.35 g/mol
LogP34.99
Rot. Bonds21

About 6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-chloro-4-(1-fluoro-6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-fluoro-4-(1-fluoro-6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[4-(1-fluoro-6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[4-(3-methylidene-4H-thiochromen-7-yl)-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-(trifluoromethoxy)phenyl]-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one

6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-chloro-4-(1-fluoro-6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-fluoro-4-(1-fluoro-6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[4-(1-fluoro-6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[4-(3-methylidene-4H-thiochromen-7-yl)-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-(trifluoromethoxy)phenyl]-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one (PubChem CID 167650289) has the molecular formula C154H111Cl10F8N27O6S and a molecular weight of 2974.35 g/mol. Its IUPAC name is 6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-chloro-4-(1-fluoro-6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-fluoro-4-(1-fluoro-6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[4-(1-fluoro-6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[4-(3-methylidene-4H-thiochromen-7-yl)-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-(trifluoromethoxy)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-(4-chlorotriazol-1-yl)phenyl]-2-[5-chloro-4-(1-fluoro-6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-fluoro-4-(1-fluoro-6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[4-(1-fluoro-6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[4-(3-methylidene-4H-thiochromen-7-yl)-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-(trifluoromethoxy)phenyl]-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one
PubChem CID167650289
Molecular FormulaC154H111Cl10F8N27O6S
Molecular Weight2974.35 g/mol
Exact Mass2967.57
IUPAC Name6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-chloro-4-(1-fluoro-6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-fluoro-4-(1-fluoro-6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[4-(1-fluoro-6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[4-(3-methylidene-4H-thiochromen-7-yl)-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-(trifluoromethoxy)phenyl]-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one
SMILESC=C1CCc2c(ccc(C3=C(Cl)N=C(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cc(Cl)nn6)cc(=O)n54)C3)c2F)C1.C=C1CCc2c(ccc(C3=C(F)N=C(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cc(Cl)nn6)cc(=O)n54)C3)c2F)C1.C=C1CCc2c(ccc(C3=CN=C(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cc(Cl)nn6)cc(=O)n54)C3)c2F)C1.C=C1CSc2cc(C3=CN=C(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cc(Cl)nn6)cc(=O)n54)C3)ccc2C1.Cc1ccc(C2=C(F)N=C(C3C4CC4c4nc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)C2)cc1OC(F)(F)F
InChIInChI=1S/C32H23Cl3FN5O.C32H23Cl2F2N5O.C32H24Cl2FN5O.C31H23Cl2N5OS.C27H18ClF4N7O2/c1-15-2-5-19-16(8-15)3-6-20(30(19)36)24-13-25(37-32(24)35)31-23-12-22(23)27-9-17(10-29(42)41(27)31)21-11-18(33)4-7-26(21)40-14-28(34)38-39-40;1-15-2-5-19-16(8-15)3-6-20(30(19)35)24-13-25(37-32(24)36)31-23-12-22(23)27-9-17(10-29(42)41(27)31)21-11-18(33)4-7-26(21)40-14-28(34)38-39-40;1-16-2-5-21-17(8-16)3-6-22(31(21)35)19-9-26(36-14-19)32-25-13-24(25)28-10-18(11-30(41)40(28)32)23-12-20(33)4-7-27(23)39-15-29(34)37-38-39;1-16-6-18-3-2-17(9-28(18)40-15-16)20-7-25(34-13-20)31-24-12-23(24)27-8-19(10-30(39)38(27)31)22-11-21(32)4-5-26(22)37-14-29(33)35-36-37;1-12-2-3-13(6-22(12)41-27(30,31)32)15-9-20(34-25(15)29)24-16-8-17(16)26-35-19(10-23(40)39(24)26)18-7-14(28)4-5-21(18)38-11-33-36-37-38/h2*3-4,6-7,9-11,14,22-23,31H,1-2,5,8,12-13H2;3-4,6-7,10-12,14-15,24-25,32H,1-2,5,8-9,13H2;2-5,8-11,13-14,23-24,31H,1,6-7,12,15H2;2-7,10-11,16-17,24H,8-9H2,1H3
InChIKeyQMAKMNYAGQTCST-UHFFFAOYSA-N
XLogP34.99
TPSA360.36 Ų
H-Bond Donors
H-Bond Acceptors34
Rotatable Bonds21
Heavy Atoms206
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002974.35
LogP ≤ 534.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

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

Analyze 6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-chloro-4-(1-fluoro-6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-fluoro-4-(1-fluoro-6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[4-(1-fluoro-6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[4-(3-methylidene-4H-thiochromen-7-yl)-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-(trifluoromethoxy)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-(4-chlorotriazol-1-yl)phenyl]-2-[5-chloro-4-(1-fluoro-6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-fluoro-4-(1-fluoro-6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[4-(1-fluoro-6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[4-(3-methylidene-4H-thiochromen-7-yl)-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-(trifluoromethoxy)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-(4-chlorotriazol-1-yl)phenyl]-2-[5-chloro-4-(1-fluoro-6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-fluoro-4-(1-fluoro-6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[4-(1-fluoro-6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[4-(3-methylidene-4H-thiochromen-7-yl)-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-(trifluoromethoxy)phenyl]-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one (CID 167650289) is 6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-chloro-4-(1-fluoro-6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-fluoro-4-(1-fluoro-6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[4-(1-fluoro-6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[4-(3-methylidene-4H-thiochromen-7-yl)-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-(trifluoromethoxy)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-(4-chlorotriazol-1-yl)phenyl]-2-[5-chloro-4-(1-fluoro-6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-fluoro-4-(1-fluoro-6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[4-(1-fluoro-6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[4-(3-methylidene-4H-thiochromen-7-yl)-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-(trifluoromethoxy)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-(4-chlorotriazol-1-yl)phenyl]-2-[5-chloro-4-(1-fluoro-6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-fluoro-4-(1-fluoro-6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[4-(1-fluoro-6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[4-(3-methylidene-4H-thiochromen-7-yl)-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-(trifluoromethoxy)phenyl]-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one is C=C1CCc2c(ccc(C3=C(Cl)N=C(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cc(Cl)nn6)cc(=O)n54)C3)c2F)C1.C=C1CCc2c(ccc(C3=C(F)N=C(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cc(Cl)nn6)cc(=O)n54)C3)c2F)C1.C=C1CCc2c(ccc(C3=CN=C(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cc(Cl)nn6)cc(=O)n54)C3)c2F)C1.C=C1CSc2cc(C3=CN=C(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cc(Cl)nn6)cc(=O)n54)C3)ccc2C1.Cc1ccc(C2=C(F)N=C(C3C4CC4c4nc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)C2)cc1OC(F)(F)F.
What is the InChIKey of 6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-chloro-4-(1-fluoro-6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-fluoro-4-(1-fluoro-6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[4-(1-fluoro-6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[4-(3-methylidene-4H-thiochromen-7-yl)-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-(trifluoromethoxy)phenyl]-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one?
The InChIKey is QMAKMNYAGQTCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23Cl3FN5O.C32H23Cl2F2N5O.C32H24Cl2FN5O.C31H23Cl2N5OS.C27H18ClF4N7O2/c1-15-2-5-19-16(8-15)3-6-20(30(19)36)24-13-25(37-32(24)35)31-23-12-22(23)27-9-17(10-29(42)41(27)31)21-11-18(33)4-7-26(21)40-14-28(34)38-39-40;1-15-2-5-19-16(8-15)3-6-20(30(19)35)24-13-25(37-32(24)36)31-23-12-22(23)27-9-17(10-29(42)41(27)31)21-11-18(33)4-7-26(21)40-14-28(34)38-39-40;1-16-2-5-21-17(8-16)3-6-22(31(21)35)19-9-26(36-14-19)32-25-13-24(25)28-10-18(11-30(41)40(28)32)23-12-20(33)4-7-27(23)39-15-29(34)37-38-39;1-16-6-18-3-2-17(9-28(18)40-15-16)20-7-25(34-13-20)31-24-12-23(24)27-8-19(10-30(39)38(27)31)22-11-21(32)4-5-26(22)37-14-29(33)35-36-37;1-12-2-3-13(6-22(12)41-27(30,31)32)15-9-20(34-25(15)29)24-16-8-17(16)26-35-19(10-23(40)39(24)26)18-7-14(28)4-5-21(18)38-11-33-36-37-38/h2*3-4,6-7,9-11,14,22-23,31H,1-2,5,8,12-13H2;3-4,6-7,10-12,14-15,24-25,32H,1-2,5,8-9,13H2;2-5,8-11,13-14,23-24,31H,1,6-7,12,15H2;2-7,10-11,16-17,24H,8-9H2,1H3.
What are the key properties of 6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-chloro-4-(1-fluoro-6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-fluoro-4-(1-fluoro-6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[4-(1-fluoro-6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[4-(3-methylidene-4H-thiochromen-7-yl)-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-(trifluoromethoxy)phenyl]-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one?
6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-chloro-4-(1-fluoro-6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-fluoro-4-(1-fluoro-6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[4-(1-fluoro-6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[4-(3-methylidene-4H-thiochromen-7-yl)-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-(trifluoromethoxy)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 2974.35 g/mol, XLogP of 34.99, 21 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-chloro-4-(1-fluoro-6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-fluoro-4-(1-fluoro-6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[4-(1-fluoro-6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[4-(3-methylidene-4H-thiochromen-7-yl)-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-(trifluoromethoxy)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 167650289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).