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-carbonitrile;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-carbonitrile;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-carbonitrile;2-[5-chloro-4-(3-methyl-1,2-benzoxazol-6-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-(3-methyl-2H-indazol-6-yl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one

C140H94Cl8F4N36O6 — CID 167548813

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-carbonitrile;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-carbonitrile;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-carbonitrile;2-[5-chloro-4-(3-methyl-1,2-benzoxazol-6-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-(3-methyl-2H-indazol-6-yl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
SMILESCc1[nH]nc2cc(C3=C(Cl)N=C(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)C3)ccc12.Cc1ccc(C2=C(Cl)N=C(C3C4CC4c4cc(-c5cc(Cl)ccc5-n5cc(C#N)nn5)cc(=O)n43)C2)c(F)n1.Cc1ccc(C2=C(F)N=C(C3C4CC4c4cc(-c5cc(Cl)ccc5-n5cc(C#N)nn5)cc(=O)n43)C2)c(F)n1.Cc1ccc(C2=CN=C(C3C4CC4c4cc(-c5cc(Cl)ccc5-n5cc(C#N)nn5)cc(=O)n43)C2)c(F)n1.Cc1noc2cc(C3=C(Cl)N=C(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)C3)ccc12
InChIInChI=1S/C28H18Cl2FN7O.C28H20Cl2N8O.C28H19Cl2N7O2.C28H18ClF2N7O.C28H19ClFN7O/c1-13-2-4-17(28(31)33-13)21-10-22(34-27(21)30)26-20-9-19(20)24-6-14(7-25(39)38(24)26)18-8-15(29)3-5-23(18)37-12-16(11-32)35-36-37;1-13-17-4-2-14(6-22(17)34-33-13)19-11-23(32-28(19)30)27-21-10-20(21)25-7-15(8-26(39)38(25)27)18-9-16(29)3-5-24(18)37-12-31-35-36-37;1-13-17-4-2-14(7-25(17)39-33-13)19-11-22(32-28(19)30)27-21-10-20(21)24-6-15(8-26(38)37(24)27)18-9-16(29)3-5-23(18)36-12-31-34-35-36;1-13-2-4-17(27(30)33-13)21-10-22(34-28(21)31)26-20-9-19(20)24-6-14(7-25(39)38(24)26)18-8-15(29)3-5-23(18)37-12-16(11-32)35-36-37;1-14-2-4-19(28(30)33-14)16-6-23(32-12-16)27-22-10-21(22)25-7-15(8-26(38)37(25)27)20-9-17(29)3-5-24(20)36-13-18(11-31)34-35-36/h2-8,12,19-20,26H,9-10H2,1H3;2-9,12,20-21,27H,10-11H2,1H3,(H,33,34);2-9,12,20-21,27H,10-11H2,1H3;2-8,12,19-20,26H,9-10H2,1H3;2-5,7-9,12-13,21-22,27H,6,10H2,1H3
InChIKeyCDLYKZUFKAMABX-UHFFFAOYSA-N
MW2736.15 g/mol
LogP27.03
Rot. Bonds20

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-carbonitrile;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-carbonitrile;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-carbonitrile;2-[5-chloro-4-(3-methyl-1,2-benzoxazol-6-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-(3-methyl-2H-indazol-6-yl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-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-carbonitrile;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-carbonitrile;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-carbonitrile;2-[5-chloro-4-(3-methyl-1,2-benzoxazol-6-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-(3-methyl-2H-indazol-6-yl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one (PubChem CID 167548813) has the molecular formula C140H94Cl8F4N36O6 and a molecular weight of 2736.15 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-carbonitrile;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-carbonitrile;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-carbonitrile;2-[5-chloro-4-(3-methyl-1,2-benzoxazol-6-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-(3-methyl-2H-indazol-6-yl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-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-carbonitrile;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-carbonitrile;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-carbonitrile;2-[5-chloro-4-(3-methyl-1,2-benzoxazol-6-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-(3-methyl-2H-indazol-6-yl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
PubChem CID167548813
Molecular FormulaC140H94Cl8F4N36O6
Molecular Weight2736.15 g/mol
Exact Mass2730.56
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-carbonitrile;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-carbonitrile;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-carbonitrile;2-[5-chloro-4-(3-methyl-1,2-benzoxazol-6-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-(3-methyl-2H-indazol-6-yl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
SMILESCc1[nH]nc2cc(C3=C(Cl)N=C(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)C3)ccc12.Cc1ccc(C2=C(Cl)N=C(C3C4CC4c4cc(-c5cc(Cl)ccc5-n5cc(C#N)nn5)cc(=O)n43)C2)c(F)n1.Cc1ccc(C2=C(F)N=C(C3C4CC4c4cc(-c5cc(Cl)ccc5-n5cc(C#N)nn5)cc(=O)n43)C2)c(F)n1.Cc1ccc(C2=CN=C(C3C4CC4c4cc(-c5cc(Cl)ccc5-n5cc(C#N)nn5)cc(=O)n43)C2)c(F)n1.Cc1noc2cc(C3=C(Cl)N=C(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)C3)ccc12
InChIInChI=1S/C28H18Cl2FN7O.C28H20Cl2N8O.C28H19Cl2N7O2.C28H18ClF2N7O.C28H19ClFN7O/c1-13-2-4-17(28(31)33-13)21-10-22(34-27(21)30)26-20-9-19(20)24-6-14(7-25(39)38(24)26)18-8-15(29)3-5-23(18)37-12-16(11-32)35-36-37;1-13-17-4-2-14(6-22(17)34-33-13)19-11-23(32-28(19)30)27-21-10-20(21)25-7-15(8-26(39)38(25)27)18-9-16(29)3-5-24(18)37-12-31-35-36-37;1-13-17-4-2-14(7-25(17)39-33-13)19-11-22(32-28(19)30)27-21-10-20(21)24-6-15(8-26(38)37(24)27)18-9-16(29)3-5-23(18)36-12-31-34-35-36;1-13-2-4-17(27(30)33-13)21-10-22(34-28(21)31)26-20-9-19(20)24-6-14(7-25(39)38(24)26)18-8-15(29)3-5-23(18)37-12-16(11-32)35-36-37;1-14-2-4-19(28(30)33-14)16-6-23(32-12-16)27-22-10-21(22)25-7-15(8-26(38)37(25)27)20-9-17(29)3-5-24(20)36-13-18(11-31)34-35-36/h2-8,12,19-20,26H,9-10H2,1H3;2-9,12,20-21,27H,10-11H2,1H3,(H,33,34);2-9,12,20-21,27H,10-11H2,1H3;2-8,12,19-20,26H,9-10H2,1H3;2-5,7-9,12-13,21-22,27H,6,10H2,1H3
InChIKeyCDLYKZUFKAMABX-UHFFFAOYSA-N
XLogP27.03
TPSA515.88 Ų
H-Bond Donors1
H-Bond Acceptors41
Rotatable Bonds20
Heavy Atoms194
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002736.15
LogP ≤ 527.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1041

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-carbonitrile;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-carbonitrile;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-carbonitrile;2-[5-chloro-4-(3-methyl-1,2-benzoxazol-6-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-(3-methyl-2H-indazol-6-yl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one with MolForge

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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-carbonitrile;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-carbonitrile;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-carbonitrile;2-[5-chloro-4-(3-methyl-1,2-benzoxazol-6-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-(3-methyl-2H-indazol-6-yl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-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-carbonitrile;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-carbonitrile;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-carbonitrile;2-[5-chloro-4-(3-methyl-1,2-benzoxazol-6-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-(3-methyl-2H-indazol-6-yl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one (CID 167548813) 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-carbonitrile;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-carbonitrile;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-carbonitrile;2-[5-chloro-4-(3-methyl-1,2-benzoxazol-6-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-(3-methyl-2H-indazol-6-yl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-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-carbonitrile;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-carbonitrile;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-carbonitrile;2-[5-chloro-4-(3-methyl-1,2-benzoxazol-6-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-(3-methyl-2H-indazol-6-yl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-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-carbonitrile;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-carbonitrile;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-carbonitrile;2-[5-chloro-4-(3-methyl-1,2-benzoxazol-6-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-(3-methyl-2H-indazol-6-yl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one is Cc1[nH]nc2cc(C3=C(Cl)N=C(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)C3)ccc12.Cc1ccc(C2=C(Cl)N=C(C3C4CC4c4cc(-c5cc(Cl)ccc5-n5cc(C#N)nn5)cc(=O)n43)C2)c(F)n1.Cc1ccc(C2=C(F)N=C(C3C4CC4c4cc(-c5cc(Cl)ccc5-n5cc(C#N)nn5)cc(=O)n43)C2)c(F)n1.Cc1ccc(C2=CN=C(C3C4CC4c4cc(-c5cc(Cl)ccc5-n5cc(C#N)nn5)cc(=O)n43)C2)c(F)n1.Cc1noc2cc(C3=C(Cl)N=C(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)C3)ccc12.
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-carbonitrile;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-carbonitrile;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-carbonitrile;2-[5-chloro-4-(3-methyl-1,2-benzoxazol-6-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-(3-methyl-2H-indazol-6-yl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one?
The InChIKey is CDLYKZUFKAMABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18Cl2FN7O.C28H20Cl2N8O.C28H19Cl2N7O2.C28H18ClF2N7O.C28H19ClFN7O/c1-13-2-4-17(28(31)33-13)21-10-22(34-27(21)30)26-20-9-19(20)24-6-14(7-25(39)38(24)26)18-8-15(29)3-5-23(18)37-12-16(11-32)35-36-37;1-13-17-4-2-14(6-22(17)34-33-13)19-11-23(32-28(19)30)27-21-10-20(21)25-7-15(8-26(39)38(25)27)18-9-16(29)3-5-24(18)37-12-31-35-36-37;1-13-17-4-2-14(7-25(17)39-33-13)19-11-22(32-28(19)30)27-21-10-20(21)24-6-15(8-26(38)37(24)27)18-9-16(29)3-5-23(18)36-12-31-34-35-36;1-13-2-4-17(27(30)33-13)21-10-22(34-28(21)31)26-20-9-19(20)24-6-14(7-25(39)38(24)26)18-8-15(29)3-5-23(18)37-12-16(11-32)35-36-37;1-14-2-4-19(28(30)33-14)16-6-23(32-12-16)27-22-10-21(22)25-7-15(8-26(38)37(25)27)20-9-17(29)3-5-24(20)36-13-18(11-31)34-35-36/h2-8,12,19-20,26H,9-10H2,1H3;2-9,12,20-21,27H,10-11H2,1H3,(H,33,34);2-9,12,20-21,27H,10-11H2,1H3;2-8,12,19-20,26H,9-10H2,1H3;2-5,7-9,12-13,21-22,27H,6,10H2,1H3.
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-carbonitrile;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-carbonitrile;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-carbonitrile;2-[5-chloro-4-(3-methyl-1,2-benzoxazol-6-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-(3-methyl-2H-indazol-6-yl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-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-carbonitrile;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-carbonitrile;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-carbonitrile;2-[5-chloro-4-(3-methyl-1,2-benzoxazol-6-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-(3-methyl-2H-indazol-6-yl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one has a molecular weight of 2736.15 g/mol, XLogP of 27.03, 20 rotatable bonds, 1 hydrogen bond donors, and 41 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-carbonitrile;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-carbonitrile;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-carbonitrile;2-[5-chloro-4-(3-methyl-1,2-benzoxazol-6-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-(3-methyl-2H-indazol-6-yl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one is sourced from PubChem (CID 167548813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).