5-[4-(4-amino-3-methylphenyl)-5-fluoro-1H-imidazol-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-(4-chlorotriazol-1-yl)phenyl]-2-[5-(5-fluoro-2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-(3-methylidene-4H-1,4-benzothiazin-7-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-fluoro-4-[4-methyl-3-(trifluoromethyl)phenyl]-1H-imidazol-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-[5-[4-methyl-3-(trifluoromethoxy)phenyl]-1H-imidazol-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-[5-[4-methyl-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one

C162H115Cl8F12N47O7S — CID 167693568

IUPAC5-[4-(4-amino-3-methylphenyl)-5-fluoro-1H-imidazol-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-(4-chlorotriazol-1-yl)phenyl]-2-[5-(5-fluoro-2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-(3-methylidene-4H-1,4-benzothiazin-7-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-fluoro-4-[4-methyl-3-(trifluoromethyl)phenyl]-1H-imidazol-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-[5-[4-methyl-3-(trifluoromethoxy)phenyl]-1H-imidazol-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-[5-[4-methyl-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one
SMILESC=C1CCc2c(ccc(-c3cnc(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cc(Cl)nn6)cc(=O)n54)[nH]3)c2F)N1.C=C1CSc2cc(-c3cnc(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cc(Cl)nn6)cc(=O)n54)[nH]3)ccc2N1.Cc1cc(-c2nc(C3C4CC4c4nc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)[nH]c2F)ccc1N.Cc1ccc(-c2cnc(C3C4CC4c4nc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)[nH]2)cc1C(F)(F)F.Cc1ccc(-c2cnc(C3C4CC4c4nc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)[nH]2)cc1OC(F)(F)F.Cc1ccc(-c2nc(C3C4CC4c4nc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)[nH]c2F)cc1C(F)(F)F
InChIInChI=1S/C30H22Cl2FN7O.C29H21Cl2N7OS.C26H17ClF4N8O.C26H18ClF3N8O2.C26H18ClF3N8O.C25H19ClFN9O/c1-14-2-4-17-22(35-14)6-5-18(28(17)33)23-12-34-30(36-23)29-21-11-20(21)25-8-15(9-27(41)40(25)29)19-10-16(31)3-7-24(19)39-13-26(32)37-38-39;1-14-13-40-25-7-15(2-4-21(25)33-14)22-11-32-29(34-22)28-20-10-19(20)24-6-16(8-27(39)38(24)28)18-9-17(30)3-5-23(18)37-12-26(31)35-36-37;1-11-2-3-12(6-17(11)26(29,30)31)21-23(28)35-24(34-21)22-14-8-15(14)25-33-18(9-20(40)39(22)25)16-7-13(27)4-5-19(16)38-10-32-36-37-38;1-12-2-3-13(6-21(12)40-26(28,29)30)19-10-31-24(33-19)23-15-8-16(15)25-34-18(9-22(39)38(23)25)17-7-14(27)4-5-20(17)37-11-32-35-36-37;1-12-2-3-13(6-18(12)26(28,29)30)20-10-31-24(33-20)23-15-8-16(15)25-34-19(9-22(39)38(23)25)17-7-14(27)4-5-21(17)37-11-32-35-36-37;1-11-6-12(2-4-17(11)28)21-23(27)32-24(31-21)22-14-8-15(14)25-30-18(9-20(37)36(22)25)16-7-13(26)3-5-19(16)35-10-29-33-34-35/h3,5-10,12-13,20-21,29,35H,1-2,4,11H2,(H,34,36);2-9,11-12,19-20,28,33H,1,10,13H2,(H,32,34);2-7,9-10,14-15,22H,8H2,1H3,(H,34,35);2-7,9-11,15-16,23H,8H2,1H3,(H,31,33);2-7,9-11,15-16,23H,8H2,1H3,(H,31,33);2-7,9-10,14-15,22H,8,28H2,1H3,(H,31,32)
InChIKeyXHSVJUHSTMGTOA-UHFFFAOYSA-N
MW3375.69 g/mol
LogP31.62
Rot. Bonds25

About 5-[4-(4-amino-3-methylphenyl)-5-fluoro-1H-imidazol-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-(4-chlorotriazol-1-yl)phenyl]-2-[5-(5-fluoro-2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-(3-methylidene-4H-1,4-benzothiazin-7-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-fluoro-4-[4-methyl-3-(trifluoromethyl)phenyl]-1H-imidazol-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-[5-[4-methyl-3-(trifluoromethoxy)phenyl]-1H-imidazol-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-[5-[4-methyl-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one

5-[4-(4-amino-3-methylphenyl)-5-fluoro-1H-imidazol-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-(4-chlorotriazol-1-yl)phenyl]-2-[5-(5-fluoro-2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-(3-methylidene-4H-1,4-benzothiazin-7-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-fluoro-4-[4-methyl-3-(trifluoromethyl)phenyl]-1H-imidazol-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-[5-[4-methyl-3-(trifluoromethoxy)phenyl]-1H-imidazol-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-[5-[4-methyl-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one (PubChem CID 167693568) has the molecular formula C162H115Cl8F12N47O7S and a molecular weight of 3375.69 g/mol. Its IUPAC name is 5-[4-(4-amino-3-methylphenyl)-5-fluoro-1H-imidazol-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-(4-chlorotriazol-1-yl)phenyl]-2-[5-(5-fluoro-2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-(3-methylidene-4H-1,4-benzothiazin-7-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-fluoro-4-[4-methyl-3-(trifluoromethyl)phenyl]-1H-imidazol-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-[5-[4-methyl-3-(trifluoromethoxy)phenyl]-1H-imidazol-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-[5-[4-methyl-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one.

Molecular Properties

Compound Name5-[4-(4-amino-3-methylphenyl)-5-fluoro-1H-imidazol-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-(4-chlorotriazol-1-yl)phenyl]-2-[5-(5-fluoro-2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-(3-methylidene-4H-1,4-benzothiazin-7-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-fluoro-4-[4-methyl-3-(trifluoromethyl)phenyl]-1H-imidazol-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-[5-[4-methyl-3-(trifluoromethoxy)phenyl]-1H-imidazol-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-[5-[4-methyl-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one
PubChem CID167693568
Molecular FormulaC162H115Cl8F12N47O7S
Molecular Weight3375.69 g/mol
Exact Mass3369.71
IUPAC Name5-[4-(4-amino-3-methylphenyl)-5-fluoro-1H-imidazol-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-(4-chlorotriazol-1-yl)phenyl]-2-[5-(5-fluoro-2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-(3-methylidene-4H-1,4-benzothiazin-7-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-fluoro-4-[4-methyl-3-(trifluoromethyl)phenyl]-1H-imidazol-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-[5-[4-methyl-3-(trifluoromethoxy)phenyl]-1H-imidazol-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-[5-[4-methyl-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one
SMILESC=C1CCc2c(ccc(-c3cnc(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cc(Cl)nn6)cc(=O)n54)[nH]3)c2F)N1.C=C1CSc2cc(-c3cnc(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cc(Cl)nn6)cc(=O)n54)[nH]3)ccc2N1.Cc1cc(-c2nc(C3C4CC4c4nc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)[nH]c2F)ccc1N.Cc1ccc(-c2cnc(C3C4CC4c4nc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)[nH]2)cc1C(F)(F)F.Cc1ccc(-c2cnc(C3C4CC4c4nc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)[nH]2)cc1OC(F)(F)F.Cc1ccc(-c2nc(C3C4CC4c4nc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)[nH]c2F)cc1C(F)(F)F
InChIInChI=1S/C30H22Cl2FN7O.C29H21Cl2N7OS.C26H17ClF4N8O.C26H18ClF3N8O2.C26H18ClF3N8O.C25H19ClFN9O/c1-14-2-4-17-22(35-14)6-5-18(28(17)33)23-12-34-30(36-23)29-21-11-20(21)25-8-15(9-27(41)40(25)29)19-10-16(31)3-7-24(19)39-13-26(32)37-38-39;1-14-13-40-25-7-15(2-4-21(25)33-14)22-11-32-29(34-22)28-20-10-19(20)24-6-16(8-27(39)38(24)28)18-9-17(30)3-5-23(18)37-12-26(31)35-36-37;1-11-2-3-12(6-17(11)26(29,30)31)21-23(28)35-24(34-21)22-14-8-15(14)25-33-18(9-20(40)39(22)25)16-7-13(27)4-5-19(16)38-10-32-36-37-38;1-12-2-3-13(6-21(12)40-26(28,29)30)19-10-31-24(33-19)23-15-8-16(15)25-34-18(9-22(39)38(23)25)17-7-14(27)4-5-20(17)37-11-32-35-36-37;1-12-2-3-13(6-18(12)26(28,29)30)20-10-31-24(33-20)23-15-8-16(15)25-34-19(9-22(39)38(23)25)17-7-14(27)4-5-21(17)37-11-32-35-36-37;1-11-6-12(2-4-17(11)28)21-23(27)32-24(31-21)22-14-8-15(14)25-30-18(9-20(37)36(22)25)16-7-13(26)3-5-19(16)35-10-29-33-34-35/h3,5-10,12-13,20-21,29,35H,1-2,4,11H2,(H,34,36);2-9,11-12,19-20,28,33H,1,10,13H2,(H,32,34);2-7,9-10,14-15,22H,8H2,1H3,(H,34,35);2-7,9-11,15-16,23H,8H2,1H3,(H,31,33);2-7,9-11,15-16,23H,8H2,1H3,(H,31,33);2-7,9-10,14-15,22H,8,28H2,1H3,(H,31,32)
InChIKeyXHSVJUHSTMGTOA-UHFFFAOYSA-N
XLogP31.62
TPSA650.77 Ų
H-Bond Donors9
H-Bond Acceptors49
Rotatable Bonds25
Heavy Atoms237
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003375.69
LogP ≤ 531.62
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1049

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-[4-(4-amino-3-methylphenyl)-5-fluoro-1H-imidazol-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-(4-chlorotriazol-1-yl)phenyl]-2-[5-(5-fluoro-2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-(3-methylidene-4H-1,4-benzothiazin-7-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-fluoro-4-[4-methyl-3-(trifluoromethyl)phenyl]-1H-imidazol-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-[5-[4-methyl-3-(trifluoromethoxy)phenyl]-1H-imidazol-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-[5-[4-methyl-3-(trifluoromethyl)phenyl]-1H-imidazol-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 5-[4-(4-amino-3-methylphenyl)-5-fluoro-1H-imidazol-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-(4-chlorotriazol-1-yl)phenyl]-2-[5-(5-fluoro-2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-(3-methylidene-4H-1,4-benzothiazin-7-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-fluoro-4-[4-methyl-3-(trifluoromethyl)phenyl]-1H-imidazol-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-[5-[4-methyl-3-(trifluoromethoxy)phenyl]-1H-imidazol-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-[5-[4-methyl-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one?
The IUPAC name of 5-[4-(4-amino-3-methylphenyl)-5-fluoro-1H-imidazol-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-(4-chlorotriazol-1-yl)phenyl]-2-[5-(5-fluoro-2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-(3-methylidene-4H-1,4-benzothiazin-7-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-fluoro-4-[4-methyl-3-(trifluoromethyl)phenyl]-1H-imidazol-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-[5-[4-methyl-3-(trifluoromethoxy)phenyl]-1H-imidazol-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-[5-[4-methyl-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one (CID 167693568) is 5-[4-(4-amino-3-methylphenyl)-5-fluoro-1H-imidazol-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-(4-chlorotriazol-1-yl)phenyl]-2-[5-(5-fluoro-2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-(3-methylidene-4H-1,4-benzothiazin-7-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-fluoro-4-[4-methyl-3-(trifluoromethyl)phenyl]-1H-imidazol-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-[5-[4-methyl-3-(trifluoromethoxy)phenyl]-1H-imidazol-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-[5-[4-methyl-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one.
What is the SMILES notation for 5-[4-(4-amino-3-methylphenyl)-5-fluoro-1H-imidazol-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-(4-chlorotriazol-1-yl)phenyl]-2-[5-(5-fluoro-2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-(3-methylidene-4H-1,4-benzothiazin-7-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-fluoro-4-[4-methyl-3-(trifluoromethyl)phenyl]-1H-imidazol-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-[5-[4-methyl-3-(trifluoromethoxy)phenyl]-1H-imidazol-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-[5-[4-methyl-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one?
The canonical SMILES for 5-[4-(4-amino-3-methylphenyl)-5-fluoro-1H-imidazol-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-(4-chlorotriazol-1-yl)phenyl]-2-[5-(5-fluoro-2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-(3-methylidene-4H-1,4-benzothiazin-7-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-fluoro-4-[4-methyl-3-(trifluoromethyl)phenyl]-1H-imidazol-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-[5-[4-methyl-3-(trifluoromethoxy)phenyl]-1H-imidazol-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-[5-[4-methyl-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one is C=C1CCc2c(ccc(-c3cnc(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cc(Cl)nn6)cc(=O)n54)[nH]3)c2F)N1.C=C1CSc2cc(-c3cnc(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cc(Cl)nn6)cc(=O)n54)[nH]3)ccc2N1.Cc1cc(-c2nc(C3C4CC4c4nc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)[nH]c2F)ccc1N.Cc1ccc(-c2cnc(C3C4CC4c4nc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)[nH]2)cc1C(F)(F)F.Cc1ccc(-c2cnc(C3C4CC4c4nc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)[nH]2)cc1OC(F)(F)F.Cc1ccc(-c2nc(C3C4CC4c4nc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)[nH]c2F)cc1C(F)(F)F.
What is the InChIKey of 5-[4-(4-amino-3-methylphenyl)-5-fluoro-1H-imidazol-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-(4-chlorotriazol-1-yl)phenyl]-2-[5-(5-fluoro-2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-(3-methylidene-4H-1,4-benzothiazin-7-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-fluoro-4-[4-methyl-3-(trifluoromethyl)phenyl]-1H-imidazol-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-[5-[4-methyl-3-(trifluoromethoxy)phenyl]-1H-imidazol-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-[5-[4-methyl-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one?
The InChIKey is XHSVJUHSTMGTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22Cl2FN7O.C29H21Cl2N7OS.C26H17ClF4N8O.C26H18ClF3N8O2.C26H18ClF3N8O.C25H19ClFN9O/c1-14-2-4-17-22(35-14)6-5-18(28(17)33)23-12-34-30(36-23)29-21-11-20(21)25-8-15(9-27(41)40(25)29)19-10-16(31)3-7-24(19)39-13-26(32)37-38-39;1-14-13-40-25-7-15(2-4-21(25)33-14)22-11-32-29(34-22)28-20-10-19(20)24-6-16(8-27(39)38(24)28)18-9-17(30)3-5-23(18)37-12-26(31)35-36-37;1-11-2-3-12(6-17(11)26(29,30)31)21-23(28)35-24(34-21)22-14-8-15(14)25-33-18(9-20(40)39(22)25)16-7-13(27)4-5-19(16)38-10-32-36-37-38;1-12-2-3-13(6-21(12)40-26(28,29)30)19-10-31-24(33-19)23-15-8-16(15)25-34-18(9-22(39)38(23)25)17-7-14(27)4-5-20(17)37-11-32-35-36-37;1-12-2-3-13(6-18(12)26(28,29)30)20-10-31-24(33-20)23-15-8-16(15)25-34-19(9-22(39)38(23)25)17-7-14(27)4-5-21(17)37-11-32-35-36-37;1-11-6-12(2-4-17(11)28)21-23(27)32-24(31-21)22-14-8-15(14)25-30-18(9-20(37)36(22)25)16-7-13(26)3-5-19(16)35-10-29-33-34-35/h3,5-10,12-13,20-21,29,35H,1-2,4,11H2,(H,34,36);2-9,11-12,19-20,28,33H,1,10,13H2,(H,32,34);2-7,9-10,14-15,22H,8H2,1H3,(H,34,35);2-7,9-11,15-16,23H,8H2,1H3,(H,31,33);2-7,9-11,15-16,23H,8H2,1H3,(H,31,33);2-7,9-10,14-15,22H,8,28H2,1H3,(H,31,32).
What are the key properties of 5-[4-(4-amino-3-methylphenyl)-5-fluoro-1H-imidazol-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-(4-chlorotriazol-1-yl)phenyl]-2-[5-(5-fluoro-2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-(3-methylidene-4H-1,4-benzothiazin-7-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-fluoro-4-[4-methyl-3-(trifluoromethyl)phenyl]-1H-imidazol-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-[5-[4-methyl-3-(trifluoromethoxy)phenyl]-1H-imidazol-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-[5-[4-methyl-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one?
5-[4-(4-amino-3-methylphenyl)-5-fluoro-1H-imidazol-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-(4-chlorotriazol-1-yl)phenyl]-2-[5-(5-fluoro-2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-(3-methylidene-4H-1,4-benzothiazin-7-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-fluoro-4-[4-methyl-3-(trifluoromethyl)phenyl]-1H-imidazol-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-[5-[4-methyl-3-(trifluoromethoxy)phenyl]-1H-imidazol-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-[5-[4-methyl-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one has a molecular weight of 3375.69 g/mol, XLogP of 31.62, 25 rotatable bonds, 9 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-amino-3-methylphenyl)-5-fluoro-1H-imidazol-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-(4-chlorotriazol-1-yl)phenyl]-2-[5-(5-fluoro-2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-(3-methylidene-4H-1,4-benzothiazin-7-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-fluoro-4-[4-methyl-3-(trifluoromethyl)phenyl]-1H-imidazol-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-[5-[4-methyl-3-(trifluoromethoxy)phenyl]-1H-imidazol-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-[5-[4-methyl-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one is sourced from PubChem (CID 167693568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).