2-[5-chloro-4-(2,3-dihydro-1H-indol-5-yl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;2-[5-chloro-4-(4-fluoro-2,3-dihydro-1H-indol-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)-5-fluoro-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(4-fluoro-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-[5-fluoro-4-(4-fluoro-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-(6-methylidene-7,8-dihydro-5H-quinolin-2-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one

C170H127Cl8F5N42O6 — CID 167594554

IUPAC2-[5-chloro-4-(2,3-dihydro-1H-indol-5-yl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;2-[5-chloro-4-(4-fluoro-2,3-dihydro-1H-indol-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)-5-fluoro-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(4-fluoro-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-[5-fluoro-4-(4-fluoro-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-(6-methylidene-7,8-dihydro-5H-quinolin-2-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
SMILESC=C1CCc2nc(C3=CN=C(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)C3)ccc2C1.O=c1cc(-c2cc(Cl)ccc2-n2cnnn2)cc2n1C(C1=NC(Cl)=C(c3ccc4c(c3)CCN4)C1)C1CC21.O=c1cc(-c2cc(Cl)ccc2-n2cnnn2)cc2n1C(C1=NC(Cl)=C(c3ccc4c(c3F)CCN4)C1)C1CC21.O=c1cc(-c2cc(Cl)ccc2-n2cnnn2)cc2n1C(C1=NC(F)=C(c3ccc4c(c3)CCN4)C1)C1CC21.O=c1cc(-c2cc(Cl)ccc2-n2cnnn2)cc2n1C(C1=NC(F)=C(c3ccc4c(c3F)CCN4)C1)C1CC21.O=c1cc(-c2cc(Cl)ccc2-n2cnnn2)cc2n1C(C1=NC=C(c3ccc4c(c3F)CCN4)C1)C1CC21
InChIInChI=1S/C30H24ClN7O.C28H20Cl2FN7O.C28H21Cl2N7O.C28H20ClF2N7O.2C28H21ClFN7O/c1-16-2-5-24-17(8-16)3-6-25(34-24)19-9-26(32-14-19)30-23-13-22(23)28-10-18(11-29(39)38(28)30)21-12-20(31)4-7-27(21)37-15-33-35-36-37;29-14-1-4-23(37-12-33-35-36-37)17(9-14)13-7-24-18-10-19(18)27(38(24)25(39)8-13)22-11-20(28(30)34-22)15-2-3-21-16(26(15)31)5-6-32-21;29-17-2-4-24(36-13-32-34-35-36)18(10-17)16-8-25-20-11-21(20)27(37(25)26(38)9-16)23-12-19(28(30)33-23)14-1-3-22-15(7-14)5-6-31-22;29-14-1-4-23(37-12-33-35-36-37)17(9-14)13-7-24-18-10-19(18)27(38(24)25(39)8-13)22-11-20(28(31)34-22)15-2-3-21-16(26(15)30)5-6-32-21;29-16-1-4-24(36-13-33-34-35-36)19(10-16)14-8-25-20-11-21(20)28(37(25)26(38)9-14)23-7-15(12-32-23)17-2-3-22-18(27(17)30)5-6-31-22;29-17-2-4-24(36-13-32-34-35-36)18(10-17)16-8-25-20-11-21(20)27(37(25)26(38)9-16)23-12-19(28(30)33-23)14-1-3-22-15(7-14)5-6-31-22/h3-4,6-7,10-12,14-15,22-23,30H,1-2,5,8-9,13H2;1-4,7-9,12,18-19,27,32H,5-6,10-11H2;1-4,7-10,13,20-21,27,31H,5-6,11-12H2;1-4,7-9,12,18-19,27,32H,5-6,10-11H2;1-4,8-10,12-13,20-21,28,31H,5-7,11H2;1-4,7-10,13,20-21,27,31H,5-6,11-12H2
InChIKeyIWNBTSAQKNGFQS-UHFFFAOYSA-N
MW3232.79 g/mol
LogP30.56
Rot. Bonds24

About 2-[5-chloro-4-(2,3-dihydro-1H-indol-5-yl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;2-[5-chloro-4-(4-fluoro-2,3-dihydro-1H-indol-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)-5-fluoro-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(4-fluoro-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-[5-fluoro-4-(4-fluoro-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-(6-methylidene-7,8-dihydro-5H-quinolin-2-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one

2-[5-chloro-4-(2,3-dihydro-1H-indol-5-yl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;2-[5-chloro-4-(4-fluoro-2,3-dihydro-1H-indol-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)-5-fluoro-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(4-fluoro-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-[5-fluoro-4-(4-fluoro-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-(6-methylidene-7,8-dihydro-5H-quinolin-2-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one (PubChem CID 167594554) has the molecular formula C170H127Cl8F5N42O6 and a molecular weight of 3232.79 g/mol. Its IUPAC name is 2-[5-chloro-4-(2,3-dihydro-1H-indol-5-yl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;2-[5-chloro-4-(4-fluoro-2,3-dihydro-1H-indol-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)-5-fluoro-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(4-fluoro-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-[5-fluoro-4-(4-fluoro-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-(6-methylidene-7,8-dihydro-5H-quinolin-2-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one.

Molecular Properties

Compound Name2-[5-chloro-4-(2,3-dihydro-1H-indol-5-yl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;2-[5-chloro-4-(4-fluoro-2,3-dihydro-1H-indol-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)-5-fluoro-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(4-fluoro-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-[5-fluoro-4-(4-fluoro-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-(6-methylidene-7,8-dihydro-5H-quinolin-2-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
PubChem CID167594554
Molecular FormulaC170H127Cl8F5N42O6
Molecular Weight3232.79 g/mol
Exact Mass3226.84
IUPAC Name2-[5-chloro-4-(2,3-dihydro-1H-indol-5-yl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;2-[5-chloro-4-(4-fluoro-2,3-dihydro-1H-indol-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)-5-fluoro-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(4-fluoro-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-[5-fluoro-4-(4-fluoro-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-(6-methylidene-7,8-dihydro-5H-quinolin-2-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
SMILESC=C1CCc2nc(C3=CN=C(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)C3)ccc2C1.O=c1cc(-c2cc(Cl)ccc2-n2cnnn2)cc2n1C(C1=NC(Cl)=C(c3ccc4c(c3)CCN4)C1)C1CC21.O=c1cc(-c2cc(Cl)ccc2-n2cnnn2)cc2n1C(C1=NC(Cl)=C(c3ccc4c(c3F)CCN4)C1)C1CC21.O=c1cc(-c2cc(Cl)ccc2-n2cnnn2)cc2n1C(C1=NC(F)=C(c3ccc4c(c3)CCN4)C1)C1CC21.O=c1cc(-c2cc(Cl)ccc2-n2cnnn2)cc2n1C(C1=NC(F)=C(c3ccc4c(c3F)CCN4)C1)C1CC21.O=c1cc(-c2cc(Cl)ccc2-n2cnnn2)cc2n1C(C1=NC=C(c3ccc4c(c3F)CCN4)C1)C1CC21
InChIInChI=1S/C30H24ClN7O.C28H20Cl2FN7O.C28H21Cl2N7O.C28H20ClF2N7O.2C28H21ClFN7O/c1-16-2-5-24-17(8-16)3-6-25(34-24)19-9-26(32-14-19)30-23-13-22(23)28-10-18(11-29(39)38(28)30)21-12-20(31)4-7-27(21)37-15-33-35-36-37;29-14-1-4-23(37-12-33-35-36-37)17(9-14)13-7-24-18-10-19(18)27(38(24)25(39)8-13)22-11-20(28(30)34-22)15-2-3-21-16(26(15)31)5-6-32-21;29-17-2-4-24(36-13-32-34-35-36)18(10-17)16-8-25-20-11-21(20)27(37(25)26(38)9-16)23-12-19(28(30)33-23)14-1-3-22-15(7-14)5-6-31-22;29-14-1-4-23(37-12-33-35-36-37)17(9-14)13-7-24-18-10-19(18)27(38(24)25(39)8-13)22-11-20(28(31)34-22)15-2-3-21-16(26(15)30)5-6-32-21;29-16-1-4-24(36-13-33-34-35-36)19(10-16)14-8-25-20-11-21(20)28(37(25)26(38)9-14)23-7-15(12-32-23)17-2-3-22-18(27(17)30)5-6-31-22;29-17-2-4-24(36-13-32-34-35-36)18(10-17)16-8-25-20-11-21(20)27(37(25)26(38)9-16)23-12-19(28(30)33-23)14-1-3-22-15(7-14)5-6-31-22/h3-4,6-7,10-12,14-15,22-23,30H,1-2,5,8-9,13H2;1-4,7-9,12,18-19,27,32H,5-6,10-11H2;1-4,7-10,13,20-21,27,31H,5-6,11-12H2;1-4,7-9,12,18-19,27,32H,5-6,10-11H2;1-4,8-10,12-13,20-21,28,31H,5-7,11H2;1-4,7-10,13,20-21,27,31H,5-6,11-12H2
InChIKeyIWNBTSAQKNGFQS-UHFFFAOYSA-N
XLogP30.56
TPSA540.80 Ų
H-Bond Donors5
H-Bond Acceptors48
Rotatable Bonds24
Heavy Atoms231
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003232.79
LogP ≤ 530.56
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1048

Computed Properties (RDKit)

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

Analyze 2-[5-chloro-4-(2,3-dihydro-1H-indol-5-yl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;2-[5-chloro-4-(4-fluoro-2,3-dihydro-1H-indol-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)-5-fluoro-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(4-fluoro-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-[5-fluoro-4-(4-fluoro-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-(6-methylidene-7,8-dihydro-5H-quinolin-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-[5-chloro-4-(2,3-dihydro-1H-indol-5-yl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;2-[5-chloro-4-(4-fluoro-2,3-dihydro-1H-indol-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)-5-fluoro-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(4-fluoro-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-[5-fluoro-4-(4-fluoro-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-(6-methylidene-7,8-dihydro-5H-quinolin-2-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one?
The IUPAC name of 2-[5-chloro-4-(2,3-dihydro-1H-indol-5-yl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;2-[5-chloro-4-(4-fluoro-2,3-dihydro-1H-indol-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)-5-fluoro-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(4-fluoro-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-[5-fluoro-4-(4-fluoro-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-(6-methylidene-7,8-dihydro-5H-quinolin-2-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one (CID 167594554) is 2-[5-chloro-4-(2,3-dihydro-1H-indol-5-yl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;2-[5-chloro-4-(4-fluoro-2,3-dihydro-1H-indol-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)-5-fluoro-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(4-fluoro-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-[5-fluoro-4-(4-fluoro-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-(6-methylidene-7,8-dihydro-5H-quinolin-2-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one.
What is the SMILES notation for 2-[5-chloro-4-(2,3-dihydro-1H-indol-5-yl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;2-[5-chloro-4-(4-fluoro-2,3-dihydro-1H-indol-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)-5-fluoro-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(4-fluoro-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-[5-fluoro-4-(4-fluoro-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-(6-methylidene-7,8-dihydro-5H-quinolin-2-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one?
The canonical SMILES for 2-[5-chloro-4-(2,3-dihydro-1H-indol-5-yl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;2-[5-chloro-4-(4-fluoro-2,3-dihydro-1H-indol-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)-5-fluoro-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(4-fluoro-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-[5-fluoro-4-(4-fluoro-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-(6-methylidene-7,8-dihydro-5H-quinolin-2-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one is C=C1CCc2nc(C3=CN=C(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)C3)ccc2C1.O=c1cc(-c2cc(Cl)ccc2-n2cnnn2)cc2n1C(C1=NC(Cl)=C(c3ccc4c(c3)CCN4)C1)C1CC21.O=c1cc(-c2cc(Cl)ccc2-n2cnnn2)cc2n1C(C1=NC(Cl)=C(c3ccc4c(c3F)CCN4)C1)C1CC21.O=c1cc(-c2cc(Cl)ccc2-n2cnnn2)cc2n1C(C1=NC(F)=C(c3ccc4c(c3)CCN4)C1)C1CC21.O=c1cc(-c2cc(Cl)ccc2-n2cnnn2)cc2n1C(C1=NC(F)=C(c3ccc4c(c3F)CCN4)C1)C1CC21.O=c1cc(-c2cc(Cl)ccc2-n2cnnn2)cc2n1C(C1=NC=C(c3ccc4c(c3F)CCN4)C1)C1CC21.
What is the InChIKey of 2-[5-chloro-4-(2,3-dihydro-1H-indol-5-yl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;2-[5-chloro-4-(4-fluoro-2,3-dihydro-1H-indol-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)-5-fluoro-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(4-fluoro-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-[5-fluoro-4-(4-fluoro-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-(6-methylidene-7,8-dihydro-5H-quinolin-2-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one?
The InChIKey is IWNBTSAQKNGFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24ClN7O.C28H20Cl2FN7O.C28H21Cl2N7O.C28H20ClF2N7O.2C28H21ClFN7O/c1-16-2-5-24-17(8-16)3-6-25(34-24)19-9-26(32-14-19)30-23-13-22(23)28-10-18(11-29(39)38(28)30)21-12-20(31)4-7-27(21)37-15-33-35-36-37;29-14-1-4-23(37-12-33-35-36-37)17(9-14)13-7-24-18-10-19(18)27(38(24)25(39)8-13)22-11-20(28(30)34-22)15-2-3-21-16(26(15)31)5-6-32-21;29-17-2-4-24(36-13-32-34-35-36)18(10-17)16-8-25-20-11-21(20)27(37(25)26(38)9-16)23-12-19(28(30)33-23)14-1-3-22-15(7-14)5-6-31-22;29-14-1-4-23(37-12-33-35-36-37)17(9-14)13-7-24-18-10-19(18)27(38(24)25(39)8-13)22-11-20(28(31)34-22)15-2-3-21-16(26(15)30)5-6-32-21;29-16-1-4-24(36-13-33-34-35-36)19(10-16)14-8-25-20-11-21(20)28(37(25)26(38)9-14)23-7-15(12-32-23)17-2-3-22-18(27(17)30)5-6-31-22;29-17-2-4-24(36-13-32-34-35-36)18(10-17)16-8-25-20-11-21(20)27(37(25)26(38)9-16)23-12-19(28(30)33-23)14-1-3-22-15(7-14)5-6-31-22/h3-4,6-7,10-12,14-15,22-23,30H,1-2,5,8-9,13H2;1-4,7-9,12,18-19,27,32H,5-6,10-11H2;1-4,7-10,13,20-21,27,31H,5-6,11-12H2;1-4,7-9,12,18-19,27,32H,5-6,10-11H2;1-4,8-10,12-13,20-21,28,31H,5-7,11H2;1-4,7-10,13,20-21,27,31H,5-6,11-12H2.
What are the key properties of 2-[5-chloro-4-(2,3-dihydro-1H-indol-5-yl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;2-[5-chloro-4-(4-fluoro-2,3-dihydro-1H-indol-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)-5-fluoro-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(4-fluoro-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-[5-fluoro-4-(4-fluoro-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-(6-methylidene-7,8-dihydro-5H-quinolin-2-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one?
2-[5-chloro-4-(2,3-dihydro-1H-indol-5-yl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;2-[5-chloro-4-(4-fluoro-2,3-dihydro-1H-indol-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)-5-fluoro-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(4-fluoro-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-[5-fluoro-4-(4-fluoro-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-(6-methylidene-7,8-dihydro-5H-quinolin-2-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one has a molecular weight of 3232.79 g/mol, XLogP of 30.56, 24 rotatable bonds, 5 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-4-(2,3-dihydro-1H-indol-5-yl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;2-[5-chloro-4-(4-fluoro-2,3-dihydro-1H-indol-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)-5-fluoro-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(4-fluoro-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-[5-fluoro-4-(4-fluoro-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-(6-methylidene-7,8-dihydro-5H-quinolin-2-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one is sourced from PubChem (CID 167594554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).