2-[5-chloro-4-(2-methylidene-1,3-dihydroindol-5-yl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(2,3-dihydro-1H-indol-5-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-fluoro-2,4-dimethylphenyl)-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-(2-methylidene-1,3-dihydroindol-5-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-fluoro-4-methylphenyl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(2-methylidene-1,3-dihydroindol-5-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one

C170H128Cl7F3N40O6 — CID 167683428

IUPAC2-[5-chloro-4-(2-methylidene-1,3-dihydroindol-5-yl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(2,3-dihydro-1H-indol-5-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-fluoro-2,4-dimethylphenyl)-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-(2-methylidene-1,3-dihydroindol-5-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-fluoro-4-methylphenyl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(2-methylidene-1,3-dihydroindol-5-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
SMILESC=C1Cc2cc(C3=C(Cl)N=C(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)C3)ccc2N1.C=C1Cc2cc(C3=C(F)N=C(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)C3)ccc2N1.C=C1Cc2cc(C3=CN=C(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)C3)ccc2N1.Cc1ccc(C2=CN=C(C3C4CC4c4cc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)C2)c(C)c1F.Cc1ccc(C2=CN=C(C3C4CC4c4cc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)C2)cc1F.O=c1cc(-c2cc(Cl)ccc2-n2cnnn2)cc2n1C(C1=NC=C(c3ccc4c(c3)CCN4)C1)C1CC21
InChIInChI=1S/C29H21Cl2N7O.C29H21ClFN7O.C29H22ClN7O.C28H22ClFN6O.C28H22ClN7O.C27H20ClFN6O/c2*1-14-6-17-7-15(2-4-23(17)33-14)20-12-24(34-29(20)31)28-22-11-21(22)26-8-16(9-27(39)38(26)28)19-10-18(30)3-5-25(19)37-13-32-35-36-37;1-15-6-18-7-16(2-4-24(18)33-15)19-8-25(31-13-19)29-23-12-22(23)27-9-17(10-28(38)37(27)29)21-11-20(30)3-5-26(21)36-14-32-34-35-36;1-14-3-5-19(15(2)27(14)30)17-7-23(31-12-17)28-22-11-21(22)25-8-16(9-26(37)36(25)28)20-10-18(29)4-6-24(20)35-13-32-33-34-35;29-19-2-4-25(35-14-32-33-34-35)20(11-19)17-9-26-21-12-22(21)28(36(26)27(37)10-17)24-8-18(13-31-24)15-1-3-23-16(7-15)5-6-30-23;1-14-2-3-15(6-22(14)29)17-7-23(30-12-17)27-21-11-20(21)25-8-16(9-26(36)35(25)27)19-10-18(28)4-5-24(19)34-13-31-32-33-34/h2*2-5,7-10,13,21-22,28,33H,1,6,11-12H2;2-5,7,9-11,13-14,22-23,29,33H,1,6,8,12H2;3-6,8-10,12-13,21-22,28H,7,11H2,1-2H3;1-4,7,9-11,13-14,21-22,28,30H,5-6,8,12H2;2-6,8-10,12-13,20-21,27H,7,11H2,1H3
InChIKeyVWFTZCKTVLEYIG-UHFFFAOYSA-N
MW3132.33 g/mol
LogP31.61
Rot. Bonds24

About 2-[5-chloro-4-(2-methylidene-1,3-dihydroindol-5-yl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(2,3-dihydro-1H-indol-5-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-fluoro-2,4-dimethylphenyl)-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-(2-methylidene-1,3-dihydroindol-5-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-fluoro-4-methylphenyl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(2-methylidene-1,3-dihydroindol-5-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one

2-[5-chloro-4-(2-methylidene-1,3-dihydroindol-5-yl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(2,3-dihydro-1H-indol-5-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-fluoro-2,4-dimethylphenyl)-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-(2-methylidene-1,3-dihydroindol-5-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-fluoro-4-methylphenyl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(2-methylidene-1,3-dihydroindol-5-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one (PubChem CID 167683428) has the molecular formula C170H128Cl7F3N40O6 and a molecular weight of 3132.33 g/mol. Its IUPAC name is 2-[5-chloro-4-(2-methylidene-1,3-dihydroindol-5-yl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(2,3-dihydro-1H-indol-5-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-fluoro-2,4-dimethylphenyl)-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-(2-methylidene-1,3-dihydroindol-5-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-fluoro-4-methylphenyl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(2-methylidene-1,3-dihydroindol-5-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one.

Molecular Properties

Compound Name2-[5-chloro-4-(2-methylidene-1,3-dihydroindol-5-yl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(2,3-dihydro-1H-indol-5-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-fluoro-2,4-dimethylphenyl)-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-(2-methylidene-1,3-dihydroindol-5-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-fluoro-4-methylphenyl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(2-methylidene-1,3-dihydroindol-5-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
PubChem CID167683428
Molecular FormulaC170H128Cl7F3N40O6
Molecular Weight3132.33 g/mol
Exact Mass3126.87
IUPAC Name2-[5-chloro-4-(2-methylidene-1,3-dihydroindol-5-yl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(2,3-dihydro-1H-indol-5-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-fluoro-2,4-dimethylphenyl)-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-(2-methylidene-1,3-dihydroindol-5-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-fluoro-4-methylphenyl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(2-methylidene-1,3-dihydroindol-5-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
SMILESC=C1Cc2cc(C3=C(Cl)N=C(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)C3)ccc2N1.C=C1Cc2cc(C3=C(F)N=C(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)C3)ccc2N1.C=C1Cc2cc(C3=CN=C(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)C3)ccc2N1.Cc1ccc(C2=CN=C(C3C4CC4c4cc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)C2)c(C)c1F.Cc1ccc(C2=CN=C(C3C4CC4c4cc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)C2)cc1F.O=c1cc(-c2cc(Cl)ccc2-n2cnnn2)cc2n1C(C1=NC=C(c3ccc4c(c3)CCN4)C1)C1CC21
InChIInChI=1S/C29H21Cl2N7O.C29H21ClFN7O.C29H22ClN7O.C28H22ClFN6O.C28H22ClN7O.C27H20ClFN6O/c2*1-14-6-17-7-15(2-4-23(17)33-14)20-12-24(34-29(20)31)28-22-11-21(22)26-8-16(9-27(39)38(26)28)19-10-18(30)3-5-25(19)37-13-32-35-36-37;1-15-6-18-7-16(2-4-24(18)33-15)19-8-25(31-13-19)29-23-12-22(23)27-9-17(10-28(38)37(27)29)21-11-20(30)3-5-26(21)36-14-32-34-35-36;1-14-3-5-19(15(2)27(14)30)17-7-23(31-12-17)28-22-11-21(22)25-8-16(9-26(37)36(25)28)20-10-18(29)4-6-24(20)35-13-32-33-34-35;29-19-2-4-25(35-14-32-33-34-35)20(11-19)17-9-26-21-12-22(21)28(36(26)27(37)10-17)24-8-18(13-31-24)15-1-3-23-16(7-15)5-6-30-23;1-14-2-3-15(6-22(14)29)17-7-23(30-12-17)27-21-11-20(21)25-8-16(9-26(36)35(25)27)19-10-18(28)4-5-24(19)34-13-31-32-33-34/h2*2-5,7-10,13,21-22,28,33H,1,6,11-12H2;2-5,7,9-11,13-14,22-23,29,33H,1,6,8,12H2;3-6,8-10,12-13,21-22,28H,7,11H2,1-2H3;1-4,7,9-11,13-14,21-22,28,30H,5-6,8,12H2;2-6,8-10,12-13,20-21,27H,7,11H2,1H3
InChIKeyVWFTZCKTVLEYIG-UHFFFAOYSA-N
XLogP31.61
TPSA515.88 Ų
H-Bond Donors4
H-Bond Acceptors46
Rotatable Bonds24
Heavy Atoms226
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003132.33
LogP ≤ 531.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1046

Computed Properties (RDKit)

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

Analyze 2-[5-chloro-4-(2-methylidene-1,3-dihydroindol-5-yl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(2,3-dihydro-1H-indol-5-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-fluoro-2,4-dimethylphenyl)-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-(2-methylidene-1,3-dihydroindol-5-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-fluoro-4-methylphenyl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(2-methylidene-1,3-dihydroindol-5-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-[5-chloro-4-(2-methylidene-1,3-dihydroindol-5-yl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(2,3-dihydro-1H-indol-5-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-fluoro-2,4-dimethylphenyl)-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-(2-methylidene-1,3-dihydroindol-5-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-fluoro-4-methylphenyl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(2-methylidene-1,3-dihydroindol-5-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one?
The IUPAC name of 2-[5-chloro-4-(2-methylidene-1,3-dihydroindol-5-yl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(2,3-dihydro-1H-indol-5-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-fluoro-2,4-dimethylphenyl)-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-(2-methylidene-1,3-dihydroindol-5-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-fluoro-4-methylphenyl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(2-methylidene-1,3-dihydroindol-5-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one (CID 167683428) is 2-[5-chloro-4-(2-methylidene-1,3-dihydroindol-5-yl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(2,3-dihydro-1H-indol-5-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-fluoro-2,4-dimethylphenyl)-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-(2-methylidene-1,3-dihydroindol-5-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-fluoro-4-methylphenyl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(2-methylidene-1,3-dihydroindol-5-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one.
What is the SMILES notation for 2-[5-chloro-4-(2-methylidene-1,3-dihydroindol-5-yl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(2,3-dihydro-1H-indol-5-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-fluoro-2,4-dimethylphenyl)-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-(2-methylidene-1,3-dihydroindol-5-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-fluoro-4-methylphenyl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(2-methylidene-1,3-dihydroindol-5-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one?
The canonical SMILES for 2-[5-chloro-4-(2-methylidene-1,3-dihydroindol-5-yl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(2,3-dihydro-1H-indol-5-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-fluoro-2,4-dimethylphenyl)-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-(2-methylidene-1,3-dihydroindol-5-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-fluoro-4-methylphenyl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(2-methylidene-1,3-dihydroindol-5-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one is C=C1Cc2cc(C3=C(Cl)N=C(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)C3)ccc2N1.C=C1Cc2cc(C3=C(F)N=C(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)C3)ccc2N1.C=C1Cc2cc(C3=CN=C(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)C3)ccc2N1.Cc1ccc(C2=CN=C(C3C4CC4c4cc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)C2)c(C)c1F.Cc1ccc(C2=CN=C(C3C4CC4c4cc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)C2)cc1F.O=c1cc(-c2cc(Cl)ccc2-n2cnnn2)cc2n1C(C1=NC=C(c3ccc4c(c3)CCN4)C1)C1CC21.
What is the InChIKey of 2-[5-chloro-4-(2-methylidene-1,3-dihydroindol-5-yl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(2,3-dihydro-1H-indol-5-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-fluoro-2,4-dimethylphenyl)-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-(2-methylidene-1,3-dihydroindol-5-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-fluoro-4-methylphenyl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(2-methylidene-1,3-dihydroindol-5-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one?
The InChIKey is VWFTZCKTVLEYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21Cl2N7O.C29H21ClFN7O.C29H22ClN7O.C28H22ClFN6O.C28H22ClN7O.C27H20ClFN6O/c2*1-14-6-17-7-15(2-4-23(17)33-14)20-12-24(34-29(20)31)28-22-11-21(22)26-8-16(9-27(39)38(26)28)19-10-18(30)3-5-25(19)37-13-32-35-36-37;1-15-6-18-7-16(2-4-24(18)33-15)19-8-25(31-13-19)29-23-12-22(23)27-9-17(10-28(38)37(27)29)21-11-20(30)3-5-26(21)36-14-32-34-35-36;1-14-3-5-19(15(2)27(14)30)17-7-23(31-12-17)28-22-11-21(22)25-8-16(9-26(37)36(25)28)20-10-18(29)4-6-24(20)35-13-32-33-34-35;29-19-2-4-25(35-14-32-33-34-35)20(11-19)17-9-26-21-12-22(21)28(36(26)27(37)10-17)24-8-18(13-31-24)15-1-3-23-16(7-15)5-6-30-23;1-14-2-3-15(6-22(14)29)17-7-23(30-12-17)27-21-11-20(21)25-8-16(9-26(36)35(25)27)19-10-18(28)4-5-24(19)34-13-31-32-33-34/h2*2-5,7-10,13,21-22,28,33H,1,6,11-12H2;2-5,7,9-11,13-14,22-23,29,33H,1,6,8,12H2;3-6,8-10,12-13,21-22,28H,7,11H2,1-2H3;1-4,7,9-11,13-14,21-22,28,30H,5-6,8,12H2;2-6,8-10,12-13,20-21,27H,7,11H2,1H3.
What are the key properties of 2-[5-chloro-4-(2-methylidene-1,3-dihydroindol-5-yl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(2,3-dihydro-1H-indol-5-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-fluoro-2,4-dimethylphenyl)-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-(2-methylidene-1,3-dihydroindol-5-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-fluoro-4-methylphenyl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(2-methylidene-1,3-dihydroindol-5-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one?
2-[5-chloro-4-(2-methylidene-1,3-dihydroindol-5-yl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(2,3-dihydro-1H-indol-5-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-fluoro-2,4-dimethylphenyl)-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-(2-methylidene-1,3-dihydroindol-5-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-fluoro-4-methylphenyl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(2-methylidene-1,3-dihydroindol-5-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one has a molecular weight of 3132.33 g/mol, XLogP of 31.61, 24 rotatable bonds, 4 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-4-(2-methylidene-1,3-dihydroindol-5-yl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(2,3-dihydro-1H-indol-5-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-fluoro-2,4-dimethylphenyl)-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-(2-methylidene-1,3-dihydroindol-5-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-fluoro-4-methylphenyl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(2-methylidene-1,3-dihydroindol-5-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one is sourced from PubChem (CID 167683428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).