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

C185H136Cl13F3N34O9 — CID 167661680

IUPAC6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[4-(1-chloro-6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-5-fluoro-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[4-(1-chloro-6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-5-fluoro-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[4-(1-chloro-6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-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-[4-(3-methylidene-1,4-dihydroisochromen-7-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-(3-methylidene-1,4-dihydroisochromen-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-(3-methylidene-1,4-dihydroisochromen-7-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
SMILESC=C1CCc2c(ccc(C3=C(F)N=C(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cc(Cl)nn6)cc(=O)n54)C3)c2Cl)C1.C=C1CCc2c(ccc(C3=C(F)N=C(C4C5CC5c5nc(-c6cc(Cl)ccc6-n6cc(Cl)nn6)cc(=O)n54)C3)c2Cl)C1.C=C1CCc2c(ccc(C3=CN=C(C4C5CC5c5nc(-c6cc(Cl)ccc6-n6cc(Cl)nn6)cc(=O)n54)C3)c2Cl)C1.C=C1Cc2ccc(C3=C(F)N=C(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)C3)cc2CO1.C=C1Cc2ccc(C3=CN=C(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cc(Cl)nn6)cc(=O)n54)C3)cc2CO1.C=C1Cc2ccc(C3=CN=C(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)C3)cc2CO1
InChIInChI=1S/C32H23Cl3FN5O.C31H22Cl3FN6O.C31H23Cl3N6O.C31H23Cl2N5O2.C30H22ClFN6O2.C30H23ClN6O2/c1-15-2-5-19-16(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;1-14-2-5-17-15(8-14)3-6-18(28(17)34)20-11-24(36-30(20)35)29-19-10-21(19)31-37-23(12-27(42)41(29)31)22-9-16(32)4-7-25(22)40-13-26(33)38-39-40;1-15-2-5-19-16(8-15)3-6-20(29(19)34)17-9-25(35-13-17)30-21-11-22(21)31-36-24(12-28(41)40(30)31)23-10-18(32)4-7-26(23)39-14-27(33)37-38-39;1-16-6-17-2-3-18(7-21(17)15-40-16)20-8-26(34-13-20)31-25-12-24(25)28-9-19(10-30(39)38(28)31)23-11-22(32)4-5-27(23)37-14-29(33)35-36-37;1-15-6-16-2-3-17(7-19(16)13-40-15)22-12-25(34-30(22)32)29-24-11-23(24)27-8-18(9-28(39)38(27)29)21-10-20(31)4-5-26(21)37-14-33-35-36-37;1-16-6-17-2-3-18(7-21(17)14-39-16)20-8-26(32-13-20)30-25-12-24(25)28-9-19(10-29(38)37(28)30)23-11-22(31)4-5-27(23)36-15-33-34-35-36/h3-4,6-7,9-11,14,22-23,31H,1-2,5,8,12-13H2;3-4,6-7,9,12-13,19,21,29H,1-2,5,8,10-11H2;3-4,6-7,10,12-14,21-22,30H,1-2,5,8-9,11H2;2-5,7,9-11,13-14,24-25,31H,1,6,8,12,15H2;2-5,7-10,14,23-24,29H,1,6,11-13H2;2-5,7,9-11,13,15,24-25,30H,1,6,8,12,14H2
InChIKeySAUXLRSBALMOQK-UHFFFAOYSA-N
MW3497.23 g/mol
LogP39.70
Rot. Bonds24

About 6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[4-(1-chloro-6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-5-fluoro-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[4-(1-chloro-6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-5-fluoro-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[4-(1-chloro-6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-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-[4-(3-methylidene-1,4-dihydroisochromen-7-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-(3-methylidene-1,4-dihydroisochromen-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-(3-methylidene-1,4-dihydroisochromen-7-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-chloro-6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-5-fluoro-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[4-(1-chloro-6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-5-fluoro-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[4-(1-chloro-6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-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-[4-(3-methylidene-1,4-dihydroisochromen-7-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-(3-methylidene-1,4-dihydroisochromen-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-(3-methylidene-1,4-dihydroisochromen-7-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one (PubChem CID 167661680) has the molecular formula C185H136Cl13F3N34O9 and a molecular weight of 3497.23 g/mol. Its IUPAC name is 6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[4-(1-chloro-6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-5-fluoro-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[4-(1-chloro-6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-5-fluoro-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[4-(1-chloro-6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-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-[4-(3-methylidene-1,4-dihydroisochromen-7-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-(3-methylidene-1,4-dihydroisochromen-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-(3-methylidene-1,4-dihydroisochromen-7-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one.

Molecular Properties

Compound Name6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[4-(1-chloro-6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-5-fluoro-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[4-(1-chloro-6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-5-fluoro-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[4-(1-chloro-6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-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-[4-(3-methylidene-1,4-dihydroisochromen-7-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-(3-methylidene-1,4-dihydroisochromen-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-(3-methylidene-1,4-dihydroisochromen-7-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
PubChem CID167661680
Molecular FormulaC185H136Cl13F3N34O9
Molecular Weight3497.23 g/mol
Exact Mass3488.71
IUPAC Name6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[4-(1-chloro-6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-5-fluoro-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[4-(1-chloro-6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-5-fluoro-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[4-(1-chloro-6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-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-[4-(3-methylidene-1,4-dihydroisochromen-7-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-(3-methylidene-1,4-dihydroisochromen-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-(3-methylidene-1,4-dihydroisochromen-7-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
SMILESC=C1CCc2c(ccc(C3=C(F)N=C(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cc(Cl)nn6)cc(=O)n54)C3)c2Cl)C1.C=C1CCc2c(ccc(C3=C(F)N=C(C4C5CC5c5nc(-c6cc(Cl)ccc6-n6cc(Cl)nn6)cc(=O)n54)C3)c2Cl)C1.C=C1CCc2c(ccc(C3=CN=C(C4C5CC5c5nc(-c6cc(Cl)ccc6-n6cc(Cl)nn6)cc(=O)n54)C3)c2Cl)C1.C=C1Cc2ccc(C3=C(F)N=C(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)C3)cc2CO1.C=C1Cc2ccc(C3=CN=C(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cc(Cl)nn6)cc(=O)n54)C3)cc2CO1.C=C1Cc2ccc(C3=CN=C(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)C3)cc2CO1
InChIInChI=1S/C32H23Cl3FN5O.C31H22Cl3FN6O.C31H23Cl3N6O.C31H23Cl2N5O2.C30H22ClFN6O2.C30H23ClN6O2/c1-15-2-5-19-16(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;1-14-2-5-17-15(8-14)3-6-18(28(17)34)20-11-24(36-30(20)35)29-19-10-21(19)31-37-23(12-27(42)41(29)31)22-9-16(32)4-7-25(22)40-13-26(33)38-39-40;1-15-2-5-19-16(8-15)3-6-20(29(19)34)17-9-25(35-13-17)30-21-11-22(21)31-36-24(12-28(41)40(30)31)23-10-18(32)4-7-26(23)39-14-27(33)37-38-39;1-16-6-17-2-3-18(7-21(17)15-40-16)20-8-26(34-13-20)31-25-12-24(25)28-9-19(10-30(39)38(28)31)23-11-22(32)4-5-27(23)37-14-29(33)35-36-37;1-15-6-16-2-3-17(7-19(16)13-40-15)22-12-25(34-30(22)32)29-24-11-23(24)27-8-18(9-28(39)38(27)29)21-10-20(31)4-5-26(21)37-14-33-35-36-37;1-16-6-17-2-3-18(7-21(17)14-39-16)20-8-26(32-13-20)30-25-12-24(25)28-9-19(10-29(38)37(28)30)23-11-22(31)4-5-27(23)36-15-33-34-35-36/h3-4,6-7,9-11,14,22-23,31H,1-2,5,8,12-13H2;3-4,6-7,9,12-13,19,21,29H,1-2,5,8,10-11H2;3-4,6-7,10,12-14,21-22,30H,1-2,5,8-9,11H2;2-5,7,9-11,13-14,24-25,31H,1,6,8,12,15H2;2-5,7-10,14,23-24,29H,1,6,11-13H2;2-5,7,9-11,13,15,24-25,30H,1,6,8,12,14H2
InChIKeySAUXLRSBALMOQK-UHFFFAOYSA-N
XLogP39.70
TPSA469.67 Ų
H-Bond Donors
H-Bond Acceptors43
Rotatable Bonds24
Heavy Atoms244
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003497.23
LogP ≤ 539.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1043

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-[4-(1-chloro-6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-5-fluoro-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[4-(1-chloro-6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-5-fluoro-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[4-(1-chloro-6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-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-[4-(3-methylidene-1,4-dihydroisochromen-7-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-(3-methylidene-1,4-dihydroisochromen-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-(3-methylidene-1,4-dihydroisochromen-7-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 6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[4-(1-chloro-6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-5-fluoro-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[4-(1-chloro-6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-5-fluoro-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[4-(1-chloro-6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-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-[4-(3-methylidene-1,4-dihydroisochromen-7-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-(3-methylidene-1,4-dihydroisochromen-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-(3-methylidene-1,4-dihydroisochromen-7-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one?
The IUPAC name of 6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[4-(1-chloro-6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-5-fluoro-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[4-(1-chloro-6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-5-fluoro-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[4-(1-chloro-6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-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-[4-(3-methylidene-1,4-dihydroisochromen-7-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-(3-methylidene-1,4-dihydroisochromen-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-(3-methylidene-1,4-dihydroisochromen-7-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one (CID 167661680) is 6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[4-(1-chloro-6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-5-fluoro-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[4-(1-chloro-6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-5-fluoro-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[4-(1-chloro-6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-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-[4-(3-methylidene-1,4-dihydroisochromen-7-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-(3-methylidene-1,4-dihydroisochromen-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-(3-methylidene-1,4-dihydroisochromen-7-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one.
What is the SMILES notation for 6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[4-(1-chloro-6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-5-fluoro-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[4-(1-chloro-6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-5-fluoro-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[4-(1-chloro-6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-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-[4-(3-methylidene-1,4-dihydroisochromen-7-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-(3-methylidene-1,4-dihydroisochromen-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-(3-methylidene-1,4-dihydroisochromen-7-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one?
The canonical SMILES for 6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[4-(1-chloro-6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-5-fluoro-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[4-(1-chloro-6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-5-fluoro-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[4-(1-chloro-6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-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-[4-(3-methylidene-1,4-dihydroisochromen-7-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-(3-methylidene-1,4-dihydroisochromen-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-(3-methylidene-1,4-dihydroisochromen-7-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one is C=C1CCc2c(ccc(C3=C(F)N=C(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cc(Cl)nn6)cc(=O)n54)C3)c2Cl)C1.C=C1CCc2c(ccc(C3=C(F)N=C(C4C5CC5c5nc(-c6cc(Cl)ccc6-n6cc(Cl)nn6)cc(=O)n54)C3)c2Cl)C1.C=C1CCc2c(ccc(C3=CN=C(C4C5CC5c5nc(-c6cc(Cl)ccc6-n6cc(Cl)nn6)cc(=O)n54)C3)c2Cl)C1.C=C1Cc2ccc(C3=C(F)N=C(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)C3)cc2CO1.C=C1Cc2ccc(C3=CN=C(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cc(Cl)nn6)cc(=O)n54)C3)cc2CO1.C=C1Cc2ccc(C3=CN=C(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)C3)cc2CO1.
What is the InChIKey of 6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[4-(1-chloro-6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-5-fluoro-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[4-(1-chloro-6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-5-fluoro-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[4-(1-chloro-6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-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-[4-(3-methylidene-1,4-dihydroisochromen-7-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-(3-methylidene-1,4-dihydroisochromen-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-(3-methylidene-1,4-dihydroisochromen-7-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one?
The InChIKey is SAUXLRSBALMOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23Cl3FN5O.C31H22Cl3FN6O.C31H23Cl3N6O.C31H23Cl2N5O2.C30H22ClFN6O2.C30H23ClN6O2/c1-15-2-5-19-16(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;1-14-2-5-17-15(8-14)3-6-18(28(17)34)20-11-24(36-30(20)35)29-19-10-21(19)31-37-23(12-27(42)41(29)31)22-9-16(32)4-7-25(22)40-13-26(33)38-39-40;1-15-2-5-19-16(8-15)3-6-20(29(19)34)17-9-25(35-13-17)30-21-11-22(21)31-36-24(12-28(41)40(30)31)23-10-18(32)4-7-26(23)39-14-27(33)37-38-39;1-16-6-17-2-3-18(7-21(17)15-40-16)20-8-26(34-13-20)31-25-12-24(25)28-9-19(10-30(39)38(28)31)23-11-22(32)4-5-27(23)37-14-29(33)35-36-37;1-15-6-16-2-3-17(7-19(16)13-40-15)22-12-25(34-30(22)32)29-24-11-23(24)27-8-18(9-28(39)38(27)29)21-10-20(31)4-5-26(21)37-14-33-35-36-37;1-16-6-17-2-3-18(7-21(17)14-39-16)20-8-26(32-13-20)30-25-12-24(25)28-9-19(10-29(38)37(28)30)23-11-22(31)4-5-27(23)36-15-33-34-35-36/h3-4,6-7,9-11,14,22-23,31H,1-2,5,8,12-13H2;3-4,6-7,9,12-13,19,21,29H,1-2,5,8,10-11H2;3-4,6-7,10,12-14,21-22,30H,1-2,5,8-9,11H2;2-5,7,9-11,13-14,24-25,31H,1,6,8,12,15H2;2-5,7-10,14,23-24,29H,1,6,11-13H2;2-5,7,9-11,13,15,24-25,30H,1,6,8,12,14H2.
What are the key properties of 6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[4-(1-chloro-6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-5-fluoro-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[4-(1-chloro-6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-5-fluoro-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[4-(1-chloro-6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-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-[4-(3-methylidene-1,4-dihydroisochromen-7-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-(3-methylidene-1,4-dihydroisochromen-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-(3-methylidene-1,4-dihydroisochromen-7-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-chloro-6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-5-fluoro-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[4-(1-chloro-6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-5-fluoro-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[4-(1-chloro-6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-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-[4-(3-methylidene-1,4-dihydroisochromen-7-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-(3-methylidene-1,4-dihydroisochromen-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-(3-methylidene-1,4-dihydroisochromen-7-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one has a molecular weight of 3497.23 g/mol, XLogP of 39.70, 24 rotatable bonds, 0 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[4-(1-chloro-6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-5-fluoro-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[4-(1-chloro-6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-5-fluoro-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[4-(1-chloro-6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-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-[4-(3-methylidene-1,4-dihydroisochromen-7-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-(3-methylidene-1,4-dihydroisochromen-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-(3-methylidene-1,4-dihydroisochromen-7-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one is sourced from PubChem (CID 167661680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).