1-[4-chloro-2-[2-[5-chloro-4-(2-fluoro-6-methyl-3-pyridinyl)-1H-imidazol-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)-1H-imidazol-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)-1H-imidazol-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-[5-(2-fluoro-6-methyl-3-pyridinyl)-1H-imidazol-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-[5-(2-fluoro-6-methyl-3-pyridinyl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one

C133H89Cl7F10N36O11 — CID 167632540

IUPAC1-[4-chloro-2-[2-[5-chloro-4-(2-fluoro-6-methyl-3-pyridinyl)-1H-imidazol-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)-1H-imidazol-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)-1H-imidazol-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-[5-(2-fluoro-6-methyl-3-pyridinyl)-1H-imidazol-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-[5-(2-fluoro-6-methyl-3-pyridinyl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
SMILESCc1ccc(-c2cnc(C3C4CC4c4cc(-c5cc(Cl)ccc5-n5cc(C(=O)O)nn5)cc(=O)n43)[nH]2)c(F)n1.Cc1ccc(-c2cnc(C3C4CC4c4cc(-c5cc(Cl)ccc5-n5cc(C(F)(F)F)nn5)cc(=O)n43)[nH]2)c(F)n1.Cc1ccc(-c2nc(C3C4CC4c4cc(-c5c(-n6cnnn6)ccc(Cl)c5F)cc(=O)n43)[nH]c2Cl)c(F)n1.Cc1ccc(-c2nc(C3C4CC4c4cc(-c5cc(Cl)ccc5-n5cc(C(=O)O)nn5)cc(=O)n43)[nH]c2Cl)c(F)n1.Cc1ccc(-c2nc(C3C4CC4c4cc(-c5cc(Cl)ccc5-n5cc(C(=O)O)nn5)cc(=O)n43)[nH]c2F)c(F)n1
InChIInChI=1S/C27H18Cl2FN7O3.C27H18ClF4N7O.C27H18ClF2N7O3.C27H19ClFN7O3.C25H16Cl2F2N8O/c1-11-2-4-14(25(30)31-11)22-24(29)33-26(32-22)23-17-9-16(17)20-6-12(7-21(38)37(20)23)15-8-13(28)3-5-19(15)36-10-18(27(39)40)34-35-36;1-12-2-4-15(25(29)34-12)19-10-33-26(35-19)24-18-9-17(18)21-6-13(7-23(40)39(21)24)16-8-14(28)3-5-20(16)38-11-22(36-37-38)27(30,31)32;1-11-2-4-14(24(29)31-11)22-25(30)33-26(32-22)23-17-9-16(17)20-6-12(7-21(38)37(20)23)15-8-13(28)3-5-19(15)36-10-18(27(39)40)34-35-36;1-12-2-4-15(25(29)31-12)19-10-30-26(32-19)24-18-9-17(18)22-6-13(7-23(37)36(22)24)16-8-14(28)3-5-21(16)35-11-20(27(38)39)33-34-35;1-10-2-3-12(24(29)31-10)21-23(27)33-25(32-21)22-14-8-13(14)17-6-11(7-18(38)37(17)22)19-16(36-9-30-34-35-36)5-4-15(26)20(19)28/h2-8,10,16-17,23H,9H2,1H3,(H,32,33)(H,39,40);2-8,10-11,17-18,24H,9H2,1H3,(H,33,35);2-8,10,16-17,23H,9H2,1H3,(H,32,33)(H,39,40);2-8,10-11,17-18,24H,9H2,1H3,(H,30,32)(H,38,39);2-7,9,13-14,22H,8H2,1H3,(H,32,33)
InChIKeyNZYCNDZEJKVFNE-UHFFFAOYSA-N
MW2805.57 g/mol
LogP24.54
Rot. Bonds23

About 1-[4-chloro-2-[2-[5-chloro-4-(2-fluoro-6-methyl-3-pyridinyl)-1H-imidazol-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)-1H-imidazol-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)-1H-imidazol-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-[5-(2-fluoro-6-methyl-3-pyridinyl)-1H-imidazol-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-[5-(2-fluoro-6-methyl-3-pyridinyl)-1H-imidazol-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)-1H-imidazol-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)-1H-imidazol-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)-1H-imidazol-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-[5-(2-fluoro-6-methyl-3-pyridinyl)-1H-imidazol-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-[5-(2-fluoro-6-methyl-3-pyridinyl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one (PubChem CID 167632540) has the molecular formula C133H89Cl7F10N36O11 and a molecular weight of 2805.57 g/mol. Its IUPAC name is 1-[4-chloro-2-[2-[5-chloro-4-(2-fluoro-6-methyl-3-pyridinyl)-1H-imidazol-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)-1H-imidazol-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)-1H-imidazol-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-[5-(2-fluoro-6-methyl-3-pyridinyl)-1H-imidazol-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-[5-(2-fluoro-6-methyl-3-pyridinyl)-1H-imidazol-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)-1H-imidazol-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)-1H-imidazol-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)-1H-imidazol-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-[5-(2-fluoro-6-methyl-3-pyridinyl)-1H-imidazol-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-[5-(2-fluoro-6-methyl-3-pyridinyl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
PubChem CID167632540
Molecular FormulaC133H89Cl7F10N36O11
Molecular Weight2805.57 g/mol
Exact Mass2800.52
IUPAC Name1-[4-chloro-2-[2-[5-chloro-4-(2-fluoro-6-methyl-3-pyridinyl)-1H-imidazol-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)-1H-imidazol-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)-1H-imidazol-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-[5-(2-fluoro-6-methyl-3-pyridinyl)-1H-imidazol-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-[5-(2-fluoro-6-methyl-3-pyridinyl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
SMILESCc1ccc(-c2cnc(C3C4CC4c4cc(-c5cc(Cl)ccc5-n5cc(C(=O)O)nn5)cc(=O)n43)[nH]2)c(F)n1.Cc1ccc(-c2cnc(C3C4CC4c4cc(-c5cc(Cl)ccc5-n5cc(C(F)(F)F)nn5)cc(=O)n43)[nH]2)c(F)n1.Cc1ccc(-c2nc(C3C4CC4c4cc(-c5c(-n6cnnn6)ccc(Cl)c5F)cc(=O)n43)[nH]c2Cl)c(F)n1.Cc1ccc(-c2nc(C3C4CC4c4cc(-c5cc(Cl)ccc5-n5cc(C(=O)O)nn5)cc(=O)n43)[nH]c2Cl)c(F)n1.Cc1ccc(-c2nc(C3C4CC4c4cc(-c5cc(Cl)ccc5-n5cc(C(=O)O)nn5)cc(=O)n43)[nH]c2F)c(F)n1
InChIInChI=1S/C27H18Cl2FN7O3.C27H18ClF4N7O.C27H18ClF2N7O3.C27H19ClFN7O3.C25H16Cl2F2N8O/c1-11-2-4-14(25(30)31-11)22-24(29)33-26(32-22)23-17-9-16(17)20-6-12(7-21(38)37(20)23)15-8-13(28)3-5-19(15)36-10-18(27(39)40)34-35-36;1-12-2-4-15(25(29)34-12)19-10-33-26(35-19)24-18-9-17(18)21-6-13(7-23(40)39(21)24)16-8-14(28)3-5-20(16)38-11-22(36-37-38)27(30,31)32;1-11-2-4-14(24(29)31-11)22-25(30)33-26(32-22)23-17-9-16(17)20-6-12(7-21(38)37(20)23)15-8-13(28)3-5-19(15)36-10-18(27(39)40)34-35-36;1-12-2-4-15(25(29)31-12)19-10-30-26(32-19)24-18-9-17(18)22-6-13(7-23(37)36(22)24)16-8-14(28)3-5-21(16)35-11-20(27(38)39)33-34-35;1-10-2-3-12(24(29)31-10)21-23(27)33-25(32-21)22-14-8-13(14)17-6-11(7-18(38)37(17)22)19-16(36-9-30-34-35-36)5-4-15(26)20(19)28/h2-8,10,16-17,23H,9H2,1H3,(H,32,33)(H,39,40);2-8,10-11,17-18,24H,9H2,1H3,(H,33,35);2-8,10,16-17,23H,9H2,1H3,(H,32,33)(H,39,40);2-8,10-11,17-18,24H,9H2,1H3,(H,30,32)(H,38,39);2-7,9,13-14,22H,8H2,1H3,(H,32,33)
InChIKeyNZYCNDZEJKVFNE-UHFFFAOYSA-N
XLogP24.54
TPSA596.19 Ų
H-Bond Donors8
H-Bond Acceptors39
Rotatable Bonds23
Heavy Atoms197
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002805.57
LogP ≤ 524.54
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

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

Analyze 1-[4-chloro-2-[2-[5-chloro-4-(2-fluoro-6-methyl-3-pyridinyl)-1H-imidazol-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)-1H-imidazol-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)-1H-imidazol-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-[5-(2-fluoro-6-methyl-3-pyridinyl)-1H-imidazol-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-[5-(2-fluoro-6-methyl-3-pyridinyl)-1H-imidazol-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)-1H-imidazol-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)-1H-imidazol-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)-1H-imidazol-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-[5-(2-fluoro-6-methyl-3-pyridinyl)-1H-imidazol-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-[5-(2-fluoro-6-methyl-3-pyridinyl)-1H-imidazol-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)-1H-imidazol-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)-1H-imidazol-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)-1H-imidazol-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-[5-(2-fluoro-6-methyl-3-pyridinyl)-1H-imidazol-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-[5-(2-fluoro-6-methyl-3-pyridinyl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one (CID 167632540) is 1-[4-chloro-2-[2-[5-chloro-4-(2-fluoro-6-methyl-3-pyridinyl)-1H-imidazol-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)-1H-imidazol-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)-1H-imidazol-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-[5-(2-fluoro-6-methyl-3-pyridinyl)-1H-imidazol-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-[5-(2-fluoro-6-methyl-3-pyridinyl)-1H-imidazol-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)-1H-imidazol-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)-1H-imidazol-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)-1H-imidazol-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-[5-(2-fluoro-6-methyl-3-pyridinyl)-1H-imidazol-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-[5-(2-fluoro-6-methyl-3-pyridinyl)-1H-imidazol-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)-1H-imidazol-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)-1H-imidazol-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)-1H-imidazol-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-[5-(2-fluoro-6-methyl-3-pyridinyl)-1H-imidazol-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-[5-(2-fluoro-6-methyl-3-pyridinyl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one is Cc1ccc(-c2cnc(C3C4CC4c4cc(-c5cc(Cl)ccc5-n5cc(C(=O)O)nn5)cc(=O)n43)[nH]2)c(F)n1.Cc1ccc(-c2cnc(C3C4CC4c4cc(-c5cc(Cl)ccc5-n5cc(C(F)(F)F)nn5)cc(=O)n43)[nH]2)c(F)n1.Cc1ccc(-c2nc(C3C4CC4c4cc(-c5c(-n6cnnn6)ccc(Cl)c5F)cc(=O)n43)[nH]c2Cl)c(F)n1.Cc1ccc(-c2nc(C3C4CC4c4cc(-c5cc(Cl)ccc5-n5cc(C(=O)O)nn5)cc(=O)n43)[nH]c2Cl)c(F)n1.Cc1ccc(-c2nc(C3C4CC4c4cc(-c5cc(Cl)ccc5-n5cc(C(=O)O)nn5)cc(=O)n43)[nH]c2F)c(F)n1.
What is the InChIKey of 1-[4-chloro-2-[2-[5-chloro-4-(2-fluoro-6-methyl-3-pyridinyl)-1H-imidazol-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)-1H-imidazol-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)-1H-imidazol-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-[5-(2-fluoro-6-methyl-3-pyridinyl)-1H-imidazol-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-[5-(2-fluoro-6-methyl-3-pyridinyl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one?
The InChIKey is NZYCNDZEJKVFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18Cl2FN7O3.C27H18ClF4N7O.C27H18ClF2N7O3.C27H19ClFN7O3.C25H16Cl2F2N8O/c1-11-2-4-14(25(30)31-11)22-24(29)33-26(32-22)23-17-9-16(17)20-6-12(7-21(38)37(20)23)15-8-13(28)3-5-19(15)36-10-18(27(39)40)34-35-36;1-12-2-4-15(25(29)34-12)19-10-33-26(35-19)24-18-9-17(18)21-6-13(7-23(40)39(21)24)16-8-14(28)3-5-20(16)38-11-22(36-37-38)27(30,31)32;1-11-2-4-14(24(29)31-11)22-25(30)33-26(32-22)23-17-9-16(17)20-6-12(7-21(38)37(20)23)15-8-13(28)3-5-19(15)36-10-18(27(39)40)34-35-36;1-12-2-4-15(25(29)31-12)19-10-30-26(32-19)24-18-9-17(18)22-6-13(7-23(37)36(22)24)16-8-14(28)3-5-21(16)35-11-20(27(38)39)33-34-35;1-10-2-3-12(24(29)31-10)21-23(27)33-25(32-21)22-14-8-13(14)17-6-11(7-18(38)37(17)22)19-16(36-9-30-34-35-36)5-4-15(26)20(19)28/h2-8,10,16-17,23H,9H2,1H3,(H,32,33)(H,39,40);2-8,10-11,17-18,24H,9H2,1H3,(H,33,35);2-8,10,16-17,23H,9H2,1H3,(H,32,33)(H,39,40);2-8,10-11,17-18,24H,9H2,1H3,(H,30,32)(H,38,39);2-7,9,13-14,22H,8H2,1H3,(H,32,33).
What are the key properties of 1-[4-chloro-2-[2-[5-chloro-4-(2-fluoro-6-methyl-3-pyridinyl)-1H-imidazol-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)-1H-imidazol-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)-1H-imidazol-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-[5-(2-fluoro-6-methyl-3-pyridinyl)-1H-imidazol-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-[5-(2-fluoro-6-methyl-3-pyridinyl)-1H-imidazol-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)-1H-imidazol-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)-1H-imidazol-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)-1H-imidazol-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-[5-(2-fluoro-6-methyl-3-pyridinyl)-1H-imidazol-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-[5-(2-fluoro-6-methyl-3-pyridinyl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one has a molecular weight of 2805.57 g/mol, XLogP of 24.54, 23 rotatable bonds, 8 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)-1H-imidazol-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)-1H-imidazol-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)-1H-imidazol-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-[5-(2-fluoro-6-methyl-3-pyridinyl)-1H-imidazol-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-[5-(2-fluoro-6-methyl-3-pyridinyl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one is sourced from PubChem (CID 167632540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).