1-[4-chloro-2-[2-[5-chloro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-4-oxo-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-6-yl]phenyl]triazole-4-carboxylic acid;1-[4-chloro-2-[2-[5-fluoro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-4-oxo-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-6-yl]phenyl]triazole-4-carboxylic acid;2-[5-chloro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-6-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;1-[4-chloro-2-[2-[4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-4-oxo-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-6-yl]phenyl]triazole-4-carboxylic acid;6-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-2-[4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one

C138H94Cl7F10N31O11 — CID 167554665

IUPAC1-[4-chloro-2-[2-[5-chloro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-4-oxo-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-6-yl]phenyl]triazole-4-carboxylic acid;1-[4-chloro-2-[2-[5-fluoro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-4-oxo-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-6-yl]phenyl]triazole-4-carboxylic acid;2-[5-chloro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-6-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;1-[4-chloro-2-[2-[4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-4-oxo-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-6-yl]phenyl]triazole-4-carboxylic acid;6-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-2-[4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
SMILESCc1ccc(C2=C(Cl)N=C(C3C4CC4c4cc(-c5c(-n6cnnn6)ccc(Cl)c5F)cc(=O)n43)C2)c(F)n1.Cc1ccc(C2=C(Cl)N=C(C3C4CC4c4cc(-c5cc(Cl)ccc5-n5cc(C(=O)O)nn5)cc(=O)n43)C2)c(F)n1.Cc1ccc(C2=C(F)N=C(C3C4CC4c4cc(-c5cc(Cl)ccc5-n5cc(C(=O)O)nn5)cc(=O)n43)C2)c(F)n1.Cc1ccc(C2=CN=C(C3C4CC4c4cc(-c5cc(Cl)ccc5-n5cc(C(=O)O)nn5)cc(=O)n43)C2)c(F)n1.Cc1ccc(C2=CN=C(C3C4CC4c4cc(-c5cc(Cl)ccc5-n5cc(C(F)(F)F)nn5)cc(=O)n43)C2)c(F)n1
InChIInChI=1S/C28H19Cl2FN6O3.C28H19ClF4N6O.C28H19ClF2N6O3.C28H20ClFN6O3.C26H17Cl2F2N7O/c1-12-2-4-15(27(31)32-12)19-10-20(33-26(19)30)25-18-9-17(18)23-6-13(7-24(38)37(23)25)16-8-14(29)3-5-22(16)36-11-21(28(39)40)34-35-36;1-13-2-4-17(27(30)35-13)15-6-21(34-11-15)26-20-10-19(20)23-7-14(8-25(40)39(23)26)18-9-16(29)3-5-22(18)38-12-24(36-37-38)28(31,32)33;1-12-2-4-15(26(30)32-12)19-10-20(33-27(19)31)25-18-9-17(18)23-6-13(7-24(38)37(23)25)16-8-14(29)3-5-22(16)36-11-21(28(39)40)34-35-36;1-13-2-4-17(27(30)32-13)15-6-21(31-11-15)26-20-10-19(20)24-7-14(8-25(37)36(24)26)18-9-16(29)3-5-23(18)35-12-22(28(38)39)33-34-35;1-11-2-3-13(26(30)32-11)16-9-18(33-25(16)28)24-15-8-14(15)20-6-12(7-21(38)37(20)24)22-19(36-10-31-34-35-36)5-4-17(27)23(22)29/h2-8,11,17-18,25H,9-10H2,1H3,(H,39,40);2-5,7-9,11-12,19-20,26H,6,10H2,1H3;2-8,11,17-18,25H,9-10H2,1H3,(H,39,40);2-5,7-9,11-12,19-20,26H,6,10H2,1H3,(H,38,39);2-7,10,14-15,24H,8-9H2,1H3
InChIKeyCVUKANQDZJRTES-UHFFFAOYSA-N
MW2800.63 g/mol
LogP26.76
Rot. Bonds23

About 1-[4-chloro-2-[2-[5-chloro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-4-oxo-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-6-yl]phenyl]triazole-4-carboxylic acid;1-[4-chloro-2-[2-[5-fluoro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-4-oxo-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-6-yl]phenyl]triazole-4-carboxylic acid;2-[5-chloro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-6-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;1-[4-chloro-2-[2-[4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-4-oxo-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-6-yl]phenyl]triazole-4-carboxylic acid;6-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-2-[4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one

1-[4-chloro-2-[2-[5-chloro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-4-oxo-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-6-yl]phenyl]triazole-4-carboxylic acid;1-[4-chloro-2-[2-[5-fluoro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-4-oxo-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-6-yl]phenyl]triazole-4-carboxylic acid;2-[5-chloro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-6-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;1-[4-chloro-2-[2-[4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-4-oxo-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-6-yl]phenyl]triazole-4-carboxylic acid;6-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-2-[4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one (PubChem CID 167554665) has the molecular formula C138H94Cl7F10N31O11 and a molecular weight of 2800.63 g/mol. Its IUPAC name is 1-[4-chloro-2-[2-[5-chloro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-4-oxo-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-6-yl]phenyl]triazole-4-carboxylic acid;1-[4-chloro-2-[2-[5-fluoro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-4-oxo-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-6-yl]phenyl]triazole-4-carboxylic acid;2-[5-chloro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-6-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;1-[4-chloro-2-[2-[4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-4-oxo-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-6-yl]phenyl]triazole-4-carboxylic acid;6-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-2-[4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one.

Molecular Properties

Compound Name1-[4-chloro-2-[2-[5-chloro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-4-oxo-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-6-yl]phenyl]triazole-4-carboxylic acid;1-[4-chloro-2-[2-[5-fluoro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-4-oxo-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-6-yl]phenyl]triazole-4-carboxylic acid;2-[5-chloro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-6-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;1-[4-chloro-2-[2-[4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-4-oxo-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-6-yl]phenyl]triazole-4-carboxylic acid;6-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-2-[4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
PubChem CID167554665
Molecular FormulaC138H94Cl7F10N31O11
Molecular Weight2800.63 g/mol
Exact Mass2795.54
IUPAC Name1-[4-chloro-2-[2-[5-chloro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-4-oxo-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-6-yl]phenyl]triazole-4-carboxylic acid;1-[4-chloro-2-[2-[5-fluoro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-4-oxo-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-6-yl]phenyl]triazole-4-carboxylic acid;2-[5-chloro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-6-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;1-[4-chloro-2-[2-[4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-4-oxo-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-6-yl]phenyl]triazole-4-carboxylic acid;6-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-2-[4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
SMILESCc1ccc(C2=C(Cl)N=C(C3C4CC4c4cc(-c5c(-n6cnnn6)ccc(Cl)c5F)cc(=O)n43)C2)c(F)n1.Cc1ccc(C2=C(Cl)N=C(C3C4CC4c4cc(-c5cc(Cl)ccc5-n5cc(C(=O)O)nn5)cc(=O)n43)C2)c(F)n1.Cc1ccc(C2=C(F)N=C(C3C4CC4c4cc(-c5cc(Cl)ccc5-n5cc(C(=O)O)nn5)cc(=O)n43)C2)c(F)n1.Cc1ccc(C2=CN=C(C3C4CC4c4cc(-c5cc(Cl)ccc5-n5cc(C(=O)O)nn5)cc(=O)n43)C2)c(F)n1.Cc1ccc(C2=CN=C(C3C4CC4c4cc(-c5cc(Cl)ccc5-n5cc(C(F)(F)F)nn5)cc(=O)n43)C2)c(F)n1
InChIInChI=1S/C28H19Cl2FN6O3.C28H19ClF4N6O.C28H19ClF2N6O3.C28H20ClFN6O3.C26H17Cl2F2N7O/c1-12-2-4-15(27(31)32-12)19-10-20(33-26(19)30)25-18-9-17(18)23-6-13(7-24(38)37(23)25)16-8-14(29)3-5-22(16)36-11-21(28(39)40)34-35-36;1-13-2-4-17(27(30)35-13)15-6-21(34-11-15)26-20-10-19(20)23-7-14(8-25(40)39(23)26)18-9-16(29)3-5-22(18)38-12-24(36-37-38)28(31,32)33;1-12-2-4-15(26(30)32-12)19-10-20(33-27(19)31)25-18-9-17(18)23-6-13(7-24(38)37(23)25)16-8-14(29)3-5-22(16)36-11-21(28(39)40)34-35-36;1-13-2-4-17(27(30)32-13)15-6-21(31-11-15)26-20-10-19(20)24-7-14(8-25(37)36(24)26)18-9-16(29)3-5-23(18)35-12-22(28(38)39)33-34-35;1-11-2-3-13(26(30)32-11)16-9-18(33-25(16)28)24-15-8-14(15)20-6-12(7-21(38)37(20)24)22-19(36-10-31-34-35-36)5-4-17(27)23(22)29/h2-8,11,17-18,25H,9-10H2,1H3,(H,39,40);2-5,7-9,11-12,19-20,26H,6,10H2,1H3;2-8,11,17-18,25H,9-10H2,1H3,(H,39,40);2-5,7-9,11-12,19-20,26H,6,10H2,1H3,(H,38,39);2-7,10,14-15,24H,8-9H2,1H3
InChIKeyCVUKANQDZJRTES-UHFFFAOYSA-N
XLogP26.76
TPSA514.59 Ų
H-Bond Donors3
H-Bond Acceptors39
Rotatable Bonds23
Heavy Atoms197
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002800.63
LogP ≤ 526.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 1-[4-chloro-2-[2-[5-chloro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-4-oxo-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-6-yl]phenyl]triazole-4-carboxylic acid;1-[4-chloro-2-[2-[5-fluoro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-4-oxo-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-6-yl]phenyl]triazole-4-carboxylic acid;2-[5-chloro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-6-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;1-[4-chloro-2-[2-[4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-4-oxo-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-6-yl]phenyl]triazole-4-carboxylic acid;6-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-2-[4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-2-[2-[5-chloro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-4-oxo-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-6-yl]phenyl]triazole-4-carboxylic acid;1-[4-chloro-2-[2-[5-fluoro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-4-oxo-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-6-yl]phenyl]triazole-4-carboxylic acid;2-[5-chloro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-6-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;1-[4-chloro-2-[2-[4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-4-oxo-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-6-yl]phenyl]triazole-4-carboxylic acid;6-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-2-[4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one?
The IUPAC name of 1-[4-chloro-2-[2-[5-chloro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-4-oxo-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-6-yl]phenyl]triazole-4-carboxylic acid;1-[4-chloro-2-[2-[5-fluoro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-4-oxo-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-6-yl]phenyl]triazole-4-carboxylic acid;2-[5-chloro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-6-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;1-[4-chloro-2-[2-[4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-4-oxo-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-6-yl]phenyl]triazole-4-carboxylic acid;6-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-2-[4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one (CID 167554665) is 1-[4-chloro-2-[2-[5-chloro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-4-oxo-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-6-yl]phenyl]triazole-4-carboxylic acid;1-[4-chloro-2-[2-[5-fluoro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-4-oxo-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-6-yl]phenyl]triazole-4-carboxylic acid;2-[5-chloro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-6-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;1-[4-chloro-2-[2-[4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-4-oxo-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-6-yl]phenyl]triazole-4-carboxylic acid;6-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-2-[4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one.
What is the SMILES notation for 1-[4-chloro-2-[2-[5-chloro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-4-oxo-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-6-yl]phenyl]triazole-4-carboxylic acid;1-[4-chloro-2-[2-[5-fluoro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-4-oxo-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-6-yl]phenyl]triazole-4-carboxylic acid;2-[5-chloro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-6-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;1-[4-chloro-2-[2-[4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-4-oxo-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-6-yl]phenyl]triazole-4-carboxylic acid;6-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-2-[4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one?
The canonical SMILES for 1-[4-chloro-2-[2-[5-chloro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-4-oxo-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-6-yl]phenyl]triazole-4-carboxylic acid;1-[4-chloro-2-[2-[5-fluoro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-4-oxo-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-6-yl]phenyl]triazole-4-carboxylic acid;2-[5-chloro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-6-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;1-[4-chloro-2-[2-[4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-4-oxo-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-6-yl]phenyl]triazole-4-carboxylic acid;6-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-2-[4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one is Cc1ccc(C2=C(Cl)N=C(C3C4CC4c4cc(-c5c(-n6cnnn6)ccc(Cl)c5F)cc(=O)n43)C2)c(F)n1.Cc1ccc(C2=C(Cl)N=C(C3C4CC4c4cc(-c5cc(Cl)ccc5-n5cc(C(=O)O)nn5)cc(=O)n43)C2)c(F)n1.Cc1ccc(C2=C(F)N=C(C3C4CC4c4cc(-c5cc(Cl)ccc5-n5cc(C(=O)O)nn5)cc(=O)n43)C2)c(F)n1.Cc1ccc(C2=CN=C(C3C4CC4c4cc(-c5cc(Cl)ccc5-n5cc(C(=O)O)nn5)cc(=O)n43)C2)c(F)n1.Cc1ccc(C2=CN=C(C3C4CC4c4cc(-c5cc(Cl)ccc5-n5cc(C(F)(F)F)nn5)cc(=O)n43)C2)c(F)n1.
What is the InChIKey of 1-[4-chloro-2-[2-[5-chloro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-4-oxo-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-6-yl]phenyl]triazole-4-carboxylic acid;1-[4-chloro-2-[2-[5-fluoro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-4-oxo-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-6-yl]phenyl]triazole-4-carboxylic acid;2-[5-chloro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-6-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;1-[4-chloro-2-[2-[4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-4-oxo-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-6-yl]phenyl]triazole-4-carboxylic acid;6-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-2-[4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one?
The InChIKey is CVUKANQDZJRTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19Cl2FN6O3.C28H19ClF4N6O.C28H19ClF2N6O3.C28H20ClFN6O3.C26H17Cl2F2N7O/c1-12-2-4-15(27(31)32-12)19-10-20(33-26(19)30)25-18-9-17(18)23-6-13(7-24(38)37(23)25)16-8-14(29)3-5-22(16)36-11-21(28(39)40)34-35-36;1-13-2-4-17(27(30)35-13)15-6-21(34-11-15)26-20-10-19(20)23-7-14(8-25(40)39(23)26)18-9-16(29)3-5-22(18)38-12-24(36-37-38)28(31,32)33;1-12-2-4-15(26(30)32-12)19-10-20(33-27(19)31)25-18-9-17(18)23-6-13(7-24(38)37(23)25)16-8-14(29)3-5-22(16)36-11-21(28(39)40)34-35-36;1-13-2-4-17(27(30)32-13)15-6-21(31-11-15)26-20-10-19(20)24-7-14(8-25(37)36(24)26)18-9-16(29)3-5-23(18)35-12-22(28(38)39)33-34-35;1-11-2-3-13(26(30)32-11)16-9-18(33-25(16)28)24-15-8-14(15)20-6-12(7-21(38)37(20)24)22-19(36-10-31-34-35-36)5-4-17(27)23(22)29/h2-8,11,17-18,25H,9-10H2,1H3,(H,39,40);2-5,7-9,11-12,19-20,26H,6,10H2,1H3;2-8,11,17-18,25H,9-10H2,1H3,(H,39,40);2-5,7-9,11-12,19-20,26H,6,10H2,1H3,(H,38,39);2-7,10,14-15,24H,8-9H2,1H3.
What are the key properties of 1-[4-chloro-2-[2-[5-chloro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-4-oxo-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-6-yl]phenyl]triazole-4-carboxylic acid;1-[4-chloro-2-[2-[5-fluoro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-4-oxo-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-6-yl]phenyl]triazole-4-carboxylic acid;2-[5-chloro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-6-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;1-[4-chloro-2-[2-[4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-4-oxo-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-6-yl]phenyl]triazole-4-carboxylic acid;6-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-2-[4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one?
1-[4-chloro-2-[2-[5-chloro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-4-oxo-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-6-yl]phenyl]triazole-4-carboxylic acid;1-[4-chloro-2-[2-[5-fluoro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-4-oxo-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-6-yl]phenyl]triazole-4-carboxylic acid;2-[5-chloro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-6-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;1-[4-chloro-2-[2-[4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-4-oxo-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-6-yl]phenyl]triazole-4-carboxylic acid;6-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-2-[4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one has a molecular weight of 2800.63 g/mol, XLogP of 26.76, 23 rotatable bonds, 3 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-2-[2-[5-chloro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-4-oxo-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-6-yl]phenyl]triazole-4-carboxylic acid;1-[4-chloro-2-[2-[5-fluoro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-4-oxo-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-6-yl]phenyl]triazole-4-carboxylic acid;2-[5-chloro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-6-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;1-[4-chloro-2-[2-[4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-4-oxo-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-6-yl]phenyl]triazole-4-carboxylic acid;6-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-2-[4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one is sourced from PubChem (CID 167554665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).