2-[5-chloro-4-(4-hydroxy-2-methylidene-1H-quinolin-6-yl)-1H-imidazol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;bis(2-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one);2-[5-chloro-4-(3-oxo-1,2-dihydroindazol-5-yl)-1H-imidazol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-fluoro-2-(2-fluoro-6-methyl-3-pyridinyl)-1H-imidazol-5-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[2-(2-fluoro-6-methyl-3-pyridinyl)-1H-imidazol-5-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one

C157H110Cl10F3N47O8 — CID 167629115

IUPAC2-[5-chloro-4-(4-hydroxy-2-methylidene-1H-quinolin-6-yl)-1H-imidazol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;bis(2-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one);2-[5-chloro-4-(3-oxo-1,2-dihydroindazol-5-yl)-1H-imidazol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-fluoro-2-(2-fluoro-6-methyl-3-pyridinyl)-1H-imidazol-5-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[2-(2-fluoro-6-methyl-3-pyridinyl)-1H-imidazol-5-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
SMILESC=C1C=C(O)c2cc(-c3nc(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)[nH]c3Cl)ccc2N1.Cc1ccc(-c2nc(C3C4CC4c4cc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)[nH]c2Cl)cc1.Cc1ccc(-c2nc(C3C4CC4c4cc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)[nH]c2Cl)cc1.Cc1ccc(-c2nc(F)c(C3C4CC4c4cc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)[nH]2)c(F)n1.Cc1ccc(-c2ncc(C3C4CC4c4cc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)[nH]2)c(F)n1.O=c1[nH][nH]c2ccc(-c3nc(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)[nH]c3Cl)cc12
InChIInChI=1S/C29H20Cl2N8O2.C26H17Cl2N9O2.2C26H19Cl2N7O.C25H17ClF2N8O.C25H18ClFN8O/c1-13-6-24(40)20-7-14(2-4-21(20)33-13)26-28(31)35-29(34-26)27-19-11-18(19)23-8-15(9-25(41)39(23)27)17-10-16(30)3-5-22(17)38-12-32-36-37-38;27-13-2-4-19(36-10-29-34-35-36)14(8-13)12-6-20-15-9-16(15)23(37(20)21(38)7-12)25-30-22(24(28)31-25)11-1-3-18-17(5-11)26(39)33-32-18;2*1-13-2-4-14(5-3-13)23-25(28)31-26(30-23)24-19-11-18(19)21-8-15(9-22(36)35(21)24)17-10-16(27)6-7-20(17)34-12-29-32-33-34;1-11-2-4-14(23(27)30-11)25-31-21(24(28)32-25)22-17-9-16(17)19-6-12(7-20(37)36(19)22)15-8-13(26)3-5-18(15)35-10-29-33-34-35;1-12-2-4-15(24(27)30-12)25-28-10-19(31-25)23-18-9-17(18)21-6-13(7-22(36)35(21)23)16-8-14(26)3-5-20(16)34-11-29-32-33-34/h2-10,12,18-19,27,33,40H,1,11H2,(H,34,35);1-8,10,15-16,23H,9H2,(H,30,31)(H2,32,33,39);2*2-10,12,18-19,24H,11H2,1H3,(H,30,31);2-8,10,16-17,22H,9H2,1H3,(H,31,32);2-8,10-11,17-18,23H,9H2,1H3,(H,28,31)
InChIKeyNNLXGKQDXMQPKI-UHFFFAOYSA-N
MW3194.45 g/mol
LogP28.51
Rot. Bonds24

About 2-[5-chloro-4-(4-hydroxy-2-methylidene-1H-quinolin-6-yl)-1H-imidazol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;bis(2-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one);2-[5-chloro-4-(3-oxo-1,2-dihydroindazol-5-yl)-1H-imidazol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-fluoro-2-(2-fluoro-6-methyl-3-pyridinyl)-1H-imidazol-5-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[2-(2-fluoro-6-methyl-3-pyridinyl)-1H-imidazol-5-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one

2-[5-chloro-4-(4-hydroxy-2-methylidene-1H-quinolin-6-yl)-1H-imidazol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;bis(2-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one);2-[5-chloro-4-(3-oxo-1,2-dihydroindazol-5-yl)-1H-imidazol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-fluoro-2-(2-fluoro-6-methyl-3-pyridinyl)-1H-imidazol-5-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[2-(2-fluoro-6-methyl-3-pyridinyl)-1H-imidazol-5-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one (PubChem CID 167629115) has the molecular formula C157H110Cl10F3N47O8 and a molecular weight of 3194.45 g/mol. Its IUPAC name is 2-[5-chloro-4-(4-hydroxy-2-methylidene-1H-quinolin-6-yl)-1H-imidazol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;bis(2-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one);2-[5-chloro-4-(3-oxo-1,2-dihydroindazol-5-yl)-1H-imidazol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-fluoro-2-(2-fluoro-6-methyl-3-pyridinyl)-1H-imidazol-5-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[2-(2-fluoro-6-methyl-3-pyridinyl)-1H-imidazol-5-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one.

Molecular Properties

Compound Name2-[5-chloro-4-(4-hydroxy-2-methylidene-1H-quinolin-6-yl)-1H-imidazol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;bis(2-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one);2-[5-chloro-4-(3-oxo-1,2-dihydroindazol-5-yl)-1H-imidazol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-fluoro-2-(2-fluoro-6-methyl-3-pyridinyl)-1H-imidazol-5-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[2-(2-fluoro-6-methyl-3-pyridinyl)-1H-imidazol-5-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
PubChem CID167629115
Molecular FormulaC157H110Cl10F3N47O8
Molecular Weight3194.45 g/mol
Exact Mass3187.65
IUPAC Name2-[5-chloro-4-(4-hydroxy-2-methylidene-1H-quinolin-6-yl)-1H-imidazol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;bis(2-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one);2-[5-chloro-4-(3-oxo-1,2-dihydroindazol-5-yl)-1H-imidazol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-fluoro-2-(2-fluoro-6-methyl-3-pyridinyl)-1H-imidazol-5-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[2-(2-fluoro-6-methyl-3-pyridinyl)-1H-imidazol-5-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
SMILESC=C1C=C(O)c2cc(-c3nc(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)[nH]c3Cl)ccc2N1.Cc1ccc(-c2nc(C3C4CC4c4cc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)[nH]c2Cl)cc1.Cc1ccc(-c2nc(C3C4CC4c4cc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)[nH]c2Cl)cc1.Cc1ccc(-c2nc(F)c(C3C4CC4c4cc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)[nH]2)c(F)n1.Cc1ccc(-c2ncc(C3C4CC4c4cc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)[nH]2)c(F)n1.O=c1[nH][nH]c2ccc(-c3nc(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)[nH]c3Cl)cc12
InChIInChI=1S/C29H20Cl2N8O2.C26H17Cl2N9O2.2C26H19Cl2N7O.C25H17ClF2N8O.C25H18ClFN8O/c1-13-6-24(40)20-7-14(2-4-21(20)33-13)26-28(31)35-29(34-26)27-19-11-18(19)23-8-15(9-25(41)39(23)27)17-10-16(30)3-5-22(17)38-12-32-36-37-38;27-13-2-4-19(36-10-29-34-35-36)14(8-13)12-6-20-15-9-16(15)23(37(20)21(38)7-12)25-30-22(24(28)31-25)11-1-3-18-17(5-11)26(39)33-32-18;2*1-13-2-4-14(5-3-13)23-25(28)31-26(30-23)24-19-11-18(19)21-8-15(9-22(36)35(21)24)17-10-16(27)6-7-20(17)34-12-29-32-33-34;1-11-2-4-14(23(27)30-11)25-31-21(24(28)32-25)22-17-9-16(17)19-6-12(7-20(37)36(19)22)15-8-13(26)3-5-18(15)35-10-29-33-34-35;1-12-2-4-15(24(27)30-12)25-28-10-19(31-25)23-18-9-17(18)21-6-13(7-22(36)35(21)23)16-8-14(26)3-5-20(16)34-11-29-32-33-34/h2-10,12,18-19,27,33,40H,1,11H2,(H,34,35);1-8,10,15-16,23H,9H2,(H,30,31)(H2,32,33,39);2*2-10,12,18-19,24H,11H2,1H3,(H,30,31);2-8,10,16-17,22H,9H2,1H3,(H,31,32);2-8,10-11,17-18,23H,9H2,1H3,(H,28,31)
InChIKeyNNLXGKQDXMQPKI-UHFFFAOYSA-N
XLogP28.51
TPSA672.37 Ų
H-Bond Donors10
H-Bond Acceptors47
Rotatable Bonds24
Heavy Atoms225
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003194.45
LogP ≤ 528.51
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1047

Computed Properties (RDKit)

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

Analyze 2-[5-chloro-4-(4-hydroxy-2-methylidene-1H-quinolin-6-yl)-1H-imidazol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;bis(2-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one);2-[5-chloro-4-(3-oxo-1,2-dihydroindazol-5-yl)-1H-imidazol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-fluoro-2-(2-fluoro-6-methyl-3-pyridinyl)-1H-imidazol-5-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[2-(2-fluoro-6-methyl-3-pyridinyl)-1H-imidazol-5-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-(4-hydroxy-2-methylidene-1H-quinolin-6-yl)-1H-imidazol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;bis(2-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one);2-[5-chloro-4-(3-oxo-1,2-dihydroindazol-5-yl)-1H-imidazol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-fluoro-2-(2-fluoro-6-methyl-3-pyridinyl)-1H-imidazol-5-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[2-(2-fluoro-6-methyl-3-pyridinyl)-1H-imidazol-5-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one?
The IUPAC name of 2-[5-chloro-4-(4-hydroxy-2-methylidene-1H-quinolin-6-yl)-1H-imidazol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;bis(2-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one);2-[5-chloro-4-(3-oxo-1,2-dihydroindazol-5-yl)-1H-imidazol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-fluoro-2-(2-fluoro-6-methyl-3-pyridinyl)-1H-imidazol-5-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[2-(2-fluoro-6-methyl-3-pyridinyl)-1H-imidazol-5-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one (CID 167629115) is 2-[5-chloro-4-(4-hydroxy-2-methylidene-1H-quinolin-6-yl)-1H-imidazol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;bis(2-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one);2-[5-chloro-4-(3-oxo-1,2-dihydroindazol-5-yl)-1H-imidazol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-fluoro-2-(2-fluoro-6-methyl-3-pyridinyl)-1H-imidazol-5-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[2-(2-fluoro-6-methyl-3-pyridinyl)-1H-imidazol-5-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one.
What is the SMILES notation for 2-[5-chloro-4-(4-hydroxy-2-methylidene-1H-quinolin-6-yl)-1H-imidazol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;bis(2-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one);2-[5-chloro-4-(3-oxo-1,2-dihydroindazol-5-yl)-1H-imidazol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-fluoro-2-(2-fluoro-6-methyl-3-pyridinyl)-1H-imidazol-5-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[2-(2-fluoro-6-methyl-3-pyridinyl)-1H-imidazol-5-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one?
The canonical SMILES for 2-[5-chloro-4-(4-hydroxy-2-methylidene-1H-quinolin-6-yl)-1H-imidazol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;bis(2-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one);2-[5-chloro-4-(3-oxo-1,2-dihydroindazol-5-yl)-1H-imidazol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-fluoro-2-(2-fluoro-6-methyl-3-pyridinyl)-1H-imidazol-5-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[2-(2-fluoro-6-methyl-3-pyridinyl)-1H-imidazol-5-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one is C=C1C=C(O)c2cc(-c3nc(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)[nH]c3Cl)ccc2N1.Cc1ccc(-c2nc(C3C4CC4c4cc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)[nH]c2Cl)cc1.Cc1ccc(-c2nc(C3C4CC4c4cc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)[nH]c2Cl)cc1.Cc1ccc(-c2nc(F)c(C3C4CC4c4cc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)[nH]2)c(F)n1.Cc1ccc(-c2ncc(C3C4CC4c4cc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)[nH]2)c(F)n1.O=c1[nH][nH]c2ccc(-c3nc(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)[nH]c3Cl)cc12.
What is the InChIKey of 2-[5-chloro-4-(4-hydroxy-2-methylidene-1H-quinolin-6-yl)-1H-imidazol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;bis(2-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one);2-[5-chloro-4-(3-oxo-1,2-dihydroindazol-5-yl)-1H-imidazol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-fluoro-2-(2-fluoro-6-methyl-3-pyridinyl)-1H-imidazol-5-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[2-(2-fluoro-6-methyl-3-pyridinyl)-1H-imidazol-5-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one?
The InChIKey is NNLXGKQDXMQPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20Cl2N8O2.C26H17Cl2N9O2.2C26H19Cl2N7O.C25H17ClF2N8O.C25H18ClFN8O/c1-13-6-24(40)20-7-14(2-4-21(20)33-13)26-28(31)35-29(34-26)27-19-11-18(19)23-8-15(9-25(41)39(23)27)17-10-16(30)3-5-22(17)38-12-32-36-37-38;27-13-2-4-19(36-10-29-34-35-36)14(8-13)12-6-20-15-9-16(15)23(37(20)21(38)7-12)25-30-22(24(28)31-25)11-1-3-18-17(5-11)26(39)33-32-18;2*1-13-2-4-14(5-3-13)23-25(28)31-26(30-23)24-19-11-18(19)21-8-15(9-22(36)35(21)24)17-10-16(27)6-7-20(17)34-12-29-32-33-34;1-11-2-4-14(23(27)30-11)25-31-21(24(28)32-25)22-17-9-16(17)19-6-12(7-20(37)36(19)22)15-8-13(26)3-5-18(15)35-10-29-33-34-35;1-12-2-4-15(24(27)30-12)25-28-10-19(31-25)23-18-9-17(18)21-6-13(7-22(36)35(21)23)16-8-14(26)3-5-20(16)34-11-29-32-33-34/h2-10,12,18-19,27,33,40H,1,11H2,(H,34,35);1-8,10,15-16,23H,9H2,(H,30,31)(H2,32,33,39);2*2-10,12,18-19,24H,11H2,1H3,(H,30,31);2-8,10,16-17,22H,9H2,1H3,(H,31,32);2-8,10-11,17-18,23H,9H2,1H3,(H,28,31).
What are the key properties of 2-[5-chloro-4-(4-hydroxy-2-methylidene-1H-quinolin-6-yl)-1H-imidazol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;bis(2-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one);2-[5-chloro-4-(3-oxo-1,2-dihydroindazol-5-yl)-1H-imidazol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-fluoro-2-(2-fluoro-6-methyl-3-pyridinyl)-1H-imidazol-5-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[2-(2-fluoro-6-methyl-3-pyridinyl)-1H-imidazol-5-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one?
2-[5-chloro-4-(4-hydroxy-2-methylidene-1H-quinolin-6-yl)-1H-imidazol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;bis(2-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one);2-[5-chloro-4-(3-oxo-1,2-dihydroindazol-5-yl)-1H-imidazol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-fluoro-2-(2-fluoro-6-methyl-3-pyridinyl)-1H-imidazol-5-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[2-(2-fluoro-6-methyl-3-pyridinyl)-1H-imidazol-5-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one has a molecular weight of 3194.45 g/mol, XLogP of 28.51, 24 rotatable bonds, 10 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-4-(4-hydroxy-2-methylidene-1H-quinolin-6-yl)-1H-imidazol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;bis(2-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one);2-[5-chloro-4-(3-oxo-1,2-dihydroindazol-5-yl)-1H-imidazol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-fluoro-2-(2-fluoro-6-methyl-3-pyridinyl)-1H-imidazol-5-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[2-(2-fluoro-6-methyl-3-pyridinyl)-1H-imidazol-5-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one is sourced from PubChem (CID 167629115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).