2-[5-chloro-2-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-4-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;5-[5-chloro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-9-[5-chloro-2-(tetrazol-1-yl)phenyl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-2-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-4-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-fluoro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one

C127H88Cl7F7N38O5 — CID 167584132

IUPAC2-[5-chloro-2-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-4-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;5-[5-chloro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-9-[5-chloro-2-(tetrazol-1-yl)phenyl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-2-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-4-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-fluoro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one
SMILESCc1ccc(C2=C(Cl)N=C(C3C4CC4c4nc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)C2)c(F)n1.Cc1ccc(C2=C(F)N=C(C3C4CC4c4nc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)C2)c(F)n1.Cc1ccc(C2=CN=C(C3C4CC4c4nc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)C2)c(F)n1.Cc1ccc(C2=NC(Cl)=C(C3C4CC4c4cc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)C2)c(F)n1.Cc1ccc(C2=NC(F)=C(C3C4CC4c4cc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)C2)c(F)n1
InChIInChI=1S/C26H18Cl2FN7O.C26H18ClF2N7O.C25H17Cl2FN8O.C25H17ClF2N8O.C25H18ClFN8O/c1-12-2-4-15(26(29)31-12)20-10-19(25(28)32-20)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;1-12-2-4-15(25(28)31-12)20-10-19(26(29)32-20)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;1-11-2-4-13(24(28)30-11)15-8-19(31-23(15)27)22-14-7-16(14)25-32-18(9-21(37)36(22)25)17-6-12(26)3-5-20(17)35-10-29-33-34-35;1-11-2-4-13(23(27)30-11)15-8-19(31-24(15)28)22-14-7-16(14)25-32-18(9-21(37)36(22)25)17-6-12(26)3-5-20(17)35-10-29-33-34-35;1-12-2-4-15(24(27)30-12)13-6-20(28-10-13)23-16-8-17(16)25-31-19(9-22(36)35(23)25)18-7-14(26)3-5-21(18)34-11-29-32-33-34/h2*2-8,11,17-18,24H,9-10H2,1H3;2*2-6,9-10,14,16,22H,7-8H2,1H3;2-5,7,9-11,16-17,23H,6,8H2,1H3
InChIKeyHOGULKIVPIOAQJ-UHFFFAOYSA-N
MW2607.52 g/mol
LogP22.35
Rot. Bonds20

About 2-[5-chloro-2-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-4-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;5-[5-chloro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-9-[5-chloro-2-(tetrazol-1-yl)phenyl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-2-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-4-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-fluoro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one

2-[5-chloro-2-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-4-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;5-[5-chloro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-9-[5-chloro-2-(tetrazol-1-yl)phenyl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-2-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-4-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-fluoro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one (PubChem CID 167584132) has the molecular formula C127H88Cl7F7N38O5 and a molecular weight of 2607.52 g/mol. Its IUPAC name is 2-[5-chloro-2-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-4-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;5-[5-chloro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-9-[5-chloro-2-(tetrazol-1-yl)phenyl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-2-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-4-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-fluoro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one.

Molecular Properties

Compound Name2-[5-chloro-2-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-4-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;5-[5-chloro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-9-[5-chloro-2-(tetrazol-1-yl)phenyl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-2-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-4-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-fluoro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one
PubChem CID167584132
Molecular FormulaC127H88Cl7F7N38O5
Molecular Weight2607.52 g/mol
Exact Mass2602.55
IUPAC Name2-[5-chloro-2-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-4-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;5-[5-chloro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-9-[5-chloro-2-(tetrazol-1-yl)phenyl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-2-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-4-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-fluoro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one
SMILESCc1ccc(C2=C(Cl)N=C(C3C4CC4c4nc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)C2)c(F)n1.Cc1ccc(C2=C(F)N=C(C3C4CC4c4nc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)C2)c(F)n1.Cc1ccc(C2=CN=C(C3C4CC4c4nc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)C2)c(F)n1.Cc1ccc(C2=NC(Cl)=C(C3C4CC4c4cc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)C2)c(F)n1.Cc1ccc(C2=NC(F)=C(C3C4CC4c4cc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)C2)c(F)n1
InChIInChI=1S/C26H18Cl2FN7O.C26H18ClF2N7O.C25H17Cl2FN8O.C25H17ClF2N8O.C25H18ClFN8O/c1-12-2-4-15(26(29)31-12)20-10-19(25(28)32-20)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;1-12-2-4-15(25(28)31-12)20-10-19(26(29)32-20)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;1-11-2-4-13(24(28)30-11)15-8-19(31-23(15)27)22-14-7-16(14)25-32-18(9-21(37)36(22)25)17-6-12(26)3-5-20(17)35-10-29-33-34-35;1-11-2-4-13(23(27)30-11)15-8-19(31-24(15)28)22-14-7-16(14)25-32-18(9-21(37)36(22)25)17-6-12(26)3-5-20(17)35-10-29-33-34-35;1-12-2-4-15(24(27)30-12)13-6-20(28-10-13)23-16-8-17(16)25-31-19(9-22(36)35(23)25)18-7-14(26)3-5-21(18)34-11-29-32-33-34/h2*2-8,11,17-18,24H,9-10H2,1H3;2*2-6,9-10,14,16,22H,7-8H2,1H3;2-5,7,9-11,16-17,23H,6,8H2,1H3
InChIKeyHOGULKIVPIOAQJ-UHFFFAOYSA-N
XLogP22.35
TPSA492.92 Ų
H-Bond Donors
H-Bond Acceptors43
Rotatable Bonds20
Heavy Atoms184
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002607.52
LogP ≤ 522.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1043

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-2-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-4-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;5-[5-chloro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-9-[5-chloro-2-(tetrazol-1-yl)phenyl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-2-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-4-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-fluoro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-4-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;5-[5-chloro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-9-[5-chloro-2-(tetrazol-1-yl)phenyl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-2-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-4-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-fluoro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one?
The IUPAC name of 2-[5-chloro-2-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-4-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;5-[5-chloro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-9-[5-chloro-2-(tetrazol-1-yl)phenyl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-2-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-4-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-fluoro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one (CID 167584132) is 2-[5-chloro-2-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-4-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;5-[5-chloro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-9-[5-chloro-2-(tetrazol-1-yl)phenyl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-2-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-4-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-fluoro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one.
What is the SMILES notation for 2-[5-chloro-2-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-4-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;5-[5-chloro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-9-[5-chloro-2-(tetrazol-1-yl)phenyl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-2-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-4-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-fluoro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one?
The canonical SMILES for 2-[5-chloro-2-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-4-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;5-[5-chloro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-9-[5-chloro-2-(tetrazol-1-yl)phenyl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-2-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-4-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-fluoro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one is Cc1ccc(C2=C(Cl)N=C(C3C4CC4c4nc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)C2)c(F)n1.Cc1ccc(C2=C(F)N=C(C3C4CC4c4nc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)C2)c(F)n1.Cc1ccc(C2=CN=C(C3C4CC4c4nc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)C2)c(F)n1.Cc1ccc(C2=NC(Cl)=C(C3C4CC4c4cc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)C2)c(F)n1.Cc1ccc(C2=NC(F)=C(C3C4CC4c4cc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)C2)c(F)n1.
What is the InChIKey of 2-[5-chloro-2-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-4-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;5-[5-chloro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-9-[5-chloro-2-(tetrazol-1-yl)phenyl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-2-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-4-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-fluoro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one?
The InChIKey is HOGULKIVPIOAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18Cl2FN7O.C26H18ClF2N7O.C25H17Cl2FN8O.C25H17ClF2N8O.C25H18ClFN8O/c1-12-2-4-15(26(29)31-12)20-10-19(25(28)32-20)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;1-12-2-4-15(25(28)31-12)20-10-19(26(29)32-20)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;1-11-2-4-13(24(28)30-11)15-8-19(31-23(15)27)22-14-7-16(14)25-32-18(9-21(37)36(22)25)17-6-12(26)3-5-20(17)35-10-29-33-34-35;1-11-2-4-13(23(27)30-11)15-8-19(31-24(15)28)22-14-7-16(14)25-32-18(9-21(37)36(22)25)17-6-12(26)3-5-20(17)35-10-29-33-34-35;1-12-2-4-15(24(27)30-12)13-6-20(28-10-13)23-16-8-17(16)25-31-19(9-22(36)35(23)25)18-7-14(26)3-5-21(18)34-11-29-32-33-34/h2*2-8,11,17-18,24H,9-10H2,1H3;2*2-6,9-10,14,16,22H,7-8H2,1H3;2-5,7,9-11,16-17,23H,6,8H2,1H3.
What are the key properties of 2-[5-chloro-2-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-4-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;5-[5-chloro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-9-[5-chloro-2-(tetrazol-1-yl)phenyl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-2-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-4-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-fluoro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one?
2-[5-chloro-2-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-4-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;5-[5-chloro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-9-[5-chloro-2-(tetrazol-1-yl)phenyl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-2-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-4-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-fluoro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one has a molecular weight of 2607.52 g/mol, XLogP of 22.35, 20 rotatable bonds, 0 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-4-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;5-[5-chloro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-9-[5-chloro-2-(tetrazol-1-yl)phenyl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-2-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-4-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-fluoro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one is sourced from PubChem (CID 167584132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).