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

C130H90Cl6F9N35O5 — CID 167564471

IUPAC2-[5-chloro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]-2-[4-(2-fluoro-6-methyl-3-pyridinyl)-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-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-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(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)C2)c(F)n1.Cc1ccc(C2=C(F)N=C(C3C4CC4c4cc(-c5c(-n6cnnn6)ccc(Cl)c5F)cc(=O)n43)C2)c(F)n1.Cc1ccc(C2=C(F)N=C(C3C4CC4c4cc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)C2)c(F)n1.Cc1ccc(C2=CN=C(C3C4CC4c4cc(-c5c(-n6cnnn6)ccc(Cl)c5F)cc(=O)n43)C2)c(F)n1.Cc1ccc(C2=CN=C(C3C4CC4c4cc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)C2)c(F)n1
InChIInChI=1S/C26H18Cl2FN7O.C26H17ClF3N7O.2C26H18ClF2N7O.C26H19ClFN7O/c1-12-2-4-15(26(29)31-12)19-10-20(32-25(19)28)24-18-9-17(18)22-6-13(7-23(37)36(22)24)16-8-14(27)3-5-21(16)35-11-30-33-34-35;1-11-2-3-13(25(29)32-11)16-9-18(33-26(16)30)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)28;1-12-2-4-15(25(28)31-12)19-10-20(32-26(19)29)24-18-9-17(18)22-6-13(7-23(37)36(22)24)16-8-14(27)3-5-21(16)35-11-30-33-34-35;1-12-2-3-15(26(29)32-12)14-6-19(30-10-14)25-17-9-16(17)21-7-13(8-22(37)36(21)25)23-20(35-11-31-33-34-35)5-4-18(27)24(23)28;1-13-2-4-17(26(28)31-13)15-6-21(29-11-15)25-20-10-19(20)23-7-14(8-24(36)35(23)25)18-9-16(27)3-5-22(18)34-12-30-32-33-34/h2-8,11,17-18,24H,9-10H2,1H3;2-7,10,14-15,24H,8-9H2,1H3;2-8,11,17-18,24H,9-10H2,1H3;2-5,7-8,10-11,16-17,25H,6,9H2,1H3;2-5,7-9,11-12,19-20,25H,6,10H2,1H3
InChIKeyFCEWPNMUPMCBNR-UHFFFAOYSA-N
MW2606.09 g/mol
LogP24.09
Rot. Bonds20

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

2-[5-chloro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]-2-[4-(2-fluoro-6-methyl-3-pyridinyl)-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-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-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 167564471) has the molecular formula C130H90Cl6F9N35O5 and a molecular weight of 2606.09 g/mol. Its IUPAC name is 2-[5-chloro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]-2-[4-(2-fluoro-6-methyl-3-pyridinyl)-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-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-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 Name2-[5-chloro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]-2-[4-(2-fluoro-6-methyl-3-pyridinyl)-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-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-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 CID167564471
Molecular FormulaC130H90Cl6F9N35O5
Molecular Weight2606.09 g/mol
Exact Mass2601.59
IUPAC Name2-[5-chloro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]-2-[4-(2-fluoro-6-methyl-3-pyridinyl)-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-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-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(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)C2)c(F)n1.Cc1ccc(C2=C(F)N=C(C3C4CC4c4cc(-c5c(-n6cnnn6)ccc(Cl)c5F)cc(=O)n43)C2)c(F)n1.Cc1ccc(C2=C(F)N=C(C3C4CC4c4cc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)C2)c(F)n1.Cc1ccc(C2=CN=C(C3C4CC4c4cc(-c5c(-n6cnnn6)ccc(Cl)c5F)cc(=O)n43)C2)c(F)n1.Cc1ccc(C2=CN=C(C3C4CC4c4cc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)C2)c(F)n1
InChIInChI=1S/C26H18Cl2FN7O.C26H17ClF3N7O.2C26H18ClF2N7O.C26H19ClFN7O/c1-12-2-4-15(26(29)31-12)19-10-20(32-25(19)28)24-18-9-17(18)22-6-13(7-23(37)36(22)24)16-8-14(27)3-5-21(16)35-11-30-33-34-35;1-11-2-3-13(25(29)32-11)16-9-18(33-26(16)30)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)28;1-12-2-4-15(25(28)31-12)19-10-20(32-26(19)29)24-18-9-17(18)22-6-13(7-23(37)36(22)24)16-8-14(27)3-5-21(16)35-11-30-33-34-35;1-12-2-3-15(26(29)32-12)14-6-19(30-10-14)25-17-9-16(17)21-7-13(8-22(37)36(21)25)23-20(35-11-31-33-34-35)5-4-18(27)24(23)28;1-13-2-4-17(26(28)31-13)15-6-21(29-11-15)25-20-10-19(20)23-7-14(8-24(36)35(23)25)18-9-16(27)3-5-22(18)34-12-30-32-33-34/h2-8,11,17-18,24H,9-10H2,1H3;2-7,10,14-15,24H,8-9H2,1H3;2-8,11,17-18,24H,9-10H2,1H3;2-5,7-8,10-11,16-17,25H,6,9H2,1H3;2-5,7-9,11-12,19-20,25H,6,10H2,1H3
InChIKeyFCEWPNMUPMCBNR-UHFFFAOYSA-N
XLogP24.09
TPSA454.25 Ų
H-Bond Donors
H-Bond Acceptors40
Rotatable Bonds20
Heavy Atoms185
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002606.09
LogP ≤ 524.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

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

Analyze 2-[5-chloro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]-2-[4-(2-fluoro-6-methyl-3-pyridinyl)-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-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-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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Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]-2-[4-(2-fluoro-6-methyl-3-pyridinyl)-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-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-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 2-[5-chloro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]-2-[4-(2-fluoro-6-methyl-3-pyridinyl)-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-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-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 167564471) is 2-[5-chloro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]-2-[4-(2-fluoro-6-methyl-3-pyridinyl)-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-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-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 2-[5-chloro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]-2-[4-(2-fluoro-6-methyl-3-pyridinyl)-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-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-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 2-[5-chloro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]-2-[4-(2-fluoro-6-methyl-3-pyridinyl)-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-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-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(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)C2)c(F)n1.Cc1ccc(C2=C(F)N=C(C3C4CC4c4cc(-c5c(-n6cnnn6)ccc(Cl)c5F)cc(=O)n43)C2)c(F)n1.Cc1ccc(C2=C(F)N=C(C3C4CC4c4cc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)C2)c(F)n1.Cc1ccc(C2=CN=C(C3C4CC4c4cc(-c5c(-n6cnnn6)ccc(Cl)c5F)cc(=O)n43)C2)c(F)n1.Cc1ccc(C2=CN=C(C3C4CC4c4cc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)C2)c(F)n1.
What is the InChIKey of 2-[5-chloro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]-2-[4-(2-fluoro-6-methyl-3-pyridinyl)-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-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-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 FCEWPNMUPMCBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18Cl2FN7O.C26H17ClF3N7O.2C26H18ClF2N7O.C26H19ClFN7O/c1-12-2-4-15(26(29)31-12)19-10-20(32-25(19)28)24-18-9-17(18)22-6-13(7-23(37)36(22)24)16-8-14(27)3-5-21(16)35-11-30-33-34-35;1-11-2-3-13(25(29)32-11)16-9-18(33-26(16)30)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)28;1-12-2-4-15(25(28)31-12)19-10-20(32-26(19)29)24-18-9-17(18)22-6-13(7-23(37)36(22)24)16-8-14(27)3-5-21(16)35-11-30-33-34-35;1-12-2-3-15(26(29)32-12)14-6-19(30-10-14)25-17-9-16(17)21-7-13(8-22(37)36(21)25)23-20(35-11-31-33-34-35)5-4-18(27)24(23)28;1-13-2-4-17(26(28)31-13)15-6-21(29-11-15)25-20-10-19(20)23-7-14(8-24(36)35(23)25)18-9-16(27)3-5-22(18)34-12-30-32-33-34/h2-8,11,17-18,24H,9-10H2,1H3;2-7,10,14-15,24H,8-9H2,1H3;2-8,11,17-18,24H,9-10H2,1H3;2-5,7-8,10-11,16-17,25H,6,9H2,1H3;2-5,7-9,11-12,19-20,25H,6,10H2,1H3.
What are the key properties of 2-[5-chloro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]-2-[4-(2-fluoro-6-methyl-3-pyridinyl)-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-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one?
2-[5-chloro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]-2-[4-(2-fluoro-6-methyl-3-pyridinyl)-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-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-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 2606.09 g/mol, XLogP of 24.09, 20 rotatable bonds, 0 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]-2-[4-(2-fluoro-6-methyl-3-pyridinyl)-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-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-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 167564471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).