2-[5-chloro-4-(3,4-dihydro-2H-1,4-benzoxazin-7-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-(3,4-dihydro-2H-1,4-benzoxazin-7-yl)-5-fluoro-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-(3,4-dihydro-2H-1,4-benzoxazin-7-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(1,3-dimethylindazol-6-yl)-5-fluoro-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-(1,3-dimethylindazol-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one

C137H104Cl6F2N42O8 — CID 167558417

IUPAC2-[5-chloro-4-(3,4-dihydro-2H-1,4-benzoxazin-7-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-(3,4-dihydro-2H-1,4-benzoxazin-7-yl)-5-fluoro-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-(3,4-dihydro-2H-1,4-benzoxazin-7-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(1,3-dimethylindazol-6-yl)-5-fluoro-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-(1,3-dimethylindazol-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
SMILESCc1nn(C)c2cc(-c3cnc(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)[nH]3)ccc12.Cc1nn(C)c2cc(-c3nc(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)[nH]c3F)ccc12.O=c1cc(-c2cc(Cl)ccc2-n2cnnn2)cc2n1C(c1nc(-c3ccc4c(c3)OCCN4)c(Cl)[nH]1)C1CC21.O=c1cc(-c2cc(Cl)ccc2-n2cnnn2)cc2n1C(c1nc(-c3ccc4c(c3)OCCN4)c(F)[nH]1)C1CC21.O=c1cc(-c2cc(Cl)ccc2-n2cnnn2)cc2n1C(c1ncc(-c3ccc4c(c3)OCCN4)[nH]1)C1CC21
InChIInChI=1S/C28H21ClFN9O.C28H22ClN9O.C27H20Cl2N8O2.C27H20ClFN8O2.C27H21ClN8O2/c1-13-17-5-3-14(7-22(17)37(2)34-13)25-27(30)33-28(32-25)26-20-11-19(20)23-8-15(9-24(40)39(23)26)18-10-16(29)4-6-21(18)38-12-31-35-36-38;1-14-18-5-3-15(7-24(18)36(2)33-14)22-12-30-28(32-22)27-21-11-20(21)25-8-16(9-26(39)38(25)27)19-10-17(29)4-6-23(19)37-13-31-34-35-37;2*28-15-2-4-20(36-12-31-34-35-36)16(10-15)14-7-21-17-11-18(17)25(37(21)23(38)9-14)27-32-24(26(29)33-27)13-1-3-19-22(8-13)39-6-5-30-19;28-16-2-4-22(35-13-31-33-34-35)17(10-16)15-7-23-18-11-19(18)26(36(23)25(37)9-15)27-30-12-21(32-27)14-1-3-20-24(8-14)38-6-5-29-20/h3-10,12,19-20,26H,11H2,1-2H3,(H,32,33);3-10,12-13,20-21,27H,11H2,1-2H3,(H,30,32);2*1-4,7-10,12,17-18,25,30H,5-6,11H2,(H,32,33);1-4,7-10,12-13,18-19,26,29H,5-6,11H2,(H,30,32)
InChIKeyDHXHHEGEPDFASN-UHFFFAOYSA-N
MW2717.34 g/mol
LogP21.94
Rot. Bonds20

About 2-[5-chloro-4-(3,4-dihydro-2H-1,4-benzoxazin-7-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-(3,4-dihydro-2H-1,4-benzoxazin-7-yl)-5-fluoro-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-(3,4-dihydro-2H-1,4-benzoxazin-7-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(1,3-dimethylindazol-6-yl)-5-fluoro-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-(1,3-dimethylindazol-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one

2-[5-chloro-4-(3,4-dihydro-2H-1,4-benzoxazin-7-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-(3,4-dihydro-2H-1,4-benzoxazin-7-yl)-5-fluoro-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-(3,4-dihydro-2H-1,4-benzoxazin-7-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(1,3-dimethylindazol-6-yl)-5-fluoro-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-(1,3-dimethylindazol-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one (PubChem CID 167558417) has the molecular formula C137H104Cl6F2N42O8 and a molecular weight of 2717.34 g/mol. Its IUPAC name is 2-[5-chloro-4-(3,4-dihydro-2H-1,4-benzoxazin-7-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-(3,4-dihydro-2H-1,4-benzoxazin-7-yl)-5-fluoro-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-(3,4-dihydro-2H-1,4-benzoxazin-7-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(1,3-dimethylindazol-6-yl)-5-fluoro-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-(1,3-dimethylindazol-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one.

Molecular Properties

Compound Name2-[5-chloro-4-(3,4-dihydro-2H-1,4-benzoxazin-7-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-(3,4-dihydro-2H-1,4-benzoxazin-7-yl)-5-fluoro-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-(3,4-dihydro-2H-1,4-benzoxazin-7-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(1,3-dimethylindazol-6-yl)-5-fluoro-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-(1,3-dimethylindazol-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
PubChem CID167558417
Molecular FormulaC137H104Cl6F2N42O8
Molecular Weight2717.34 g/mol
Exact Mass2712.71
IUPAC Name2-[5-chloro-4-(3,4-dihydro-2H-1,4-benzoxazin-7-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-(3,4-dihydro-2H-1,4-benzoxazin-7-yl)-5-fluoro-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-(3,4-dihydro-2H-1,4-benzoxazin-7-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(1,3-dimethylindazol-6-yl)-5-fluoro-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-(1,3-dimethylindazol-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
SMILESCc1nn(C)c2cc(-c3cnc(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)[nH]3)ccc12.Cc1nn(C)c2cc(-c3nc(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)[nH]c3F)ccc12.O=c1cc(-c2cc(Cl)ccc2-n2cnnn2)cc2n1C(c1nc(-c3ccc4c(c3)OCCN4)c(Cl)[nH]1)C1CC21.O=c1cc(-c2cc(Cl)ccc2-n2cnnn2)cc2n1C(c1nc(-c3ccc4c(c3)OCCN4)c(F)[nH]1)C1CC21.O=c1cc(-c2cc(Cl)ccc2-n2cnnn2)cc2n1C(c1ncc(-c3ccc4c(c3)OCCN4)[nH]1)C1CC21
InChIInChI=1S/C28H21ClFN9O.C28H22ClN9O.C27H20Cl2N8O2.C27H20ClFN8O2.C27H21ClN8O2/c1-13-17-5-3-14(7-22(17)37(2)34-13)25-27(30)33-28(32-25)26-20-11-19(20)23-8-15(9-24(40)39(23)26)18-10-16(29)4-6-21(18)38-12-31-35-36-38;1-14-18-5-3-15(7-24(18)36(2)33-14)22-12-30-28(32-22)27-21-11-20(21)25-8-16(9-26(39)38(25)27)19-10-17(29)4-6-23(19)37-13-31-34-35-37;2*28-15-2-4-20(36-12-31-34-35-36)16(10-15)14-7-21-17-11-18(17)25(37(21)23(38)9-14)27-32-24(26(29)33-27)13-1-3-19-22(8-13)39-6-5-30-19;28-16-2-4-22(35-13-31-33-34-35)17(10-16)15-7-23-18-11-19(18)26(36(23)25(37)9-15)27-30-12-21(32-27)14-1-3-20-24(8-14)38-6-5-29-20/h3-10,12,19-20,26H,11H2,1-2H3,(H,32,33);3-10,12-13,20-21,27H,11H2,1-2H3,(H,30,32);2*1-4,7-10,12,17-18,25,30H,5-6,11H2,(H,32,33);1-4,7-10,12-13,18-19,26,29H,5-6,11H2,(H,30,32)
InChIKeyDHXHHEGEPDFASN-UHFFFAOYSA-N
XLogP21.94
TPSA570.82 Ų
H-Bond Donors8
H-Bond Acceptors45
Rotatable Bonds20
Heavy Atoms195
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002717.34
LogP ≤ 521.94
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1045

Analyze 2-[5-chloro-4-(3,4-dihydro-2H-1,4-benzoxazin-7-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-(3,4-dihydro-2H-1,4-benzoxazin-7-yl)-5-fluoro-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-(3,4-dihydro-2H-1,4-benzoxazin-7-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(1,3-dimethylindazol-6-yl)-5-fluoro-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-(1,3-dimethylindazol-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one with MolForge

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Related Compounds

4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-methylcyclohexane-1-carboxamide;4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]piperidine-1-carboxamide;4-[4-amino-5-(1-methylindol-6-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;methane
CID 159057715
CID 160924483
CID 160924483
N-[[4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide;1-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-4-carboxylic acid;4-[8-amino-1-(7-ethoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-[7-(4-fluorophenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid
CID 162158567
6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-(8-fluoro-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
CID 166047822
(1aS,2S,7bR)-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-(8-fluoro-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
CID 167222603
9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[4-fluoro-2-(3-methylidene-4H-1,4-benzoxazin-7-yl)-1H-imidazol-5-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[2-(3-methylidene-4H-1,4-benzoxazin-7-yl)-1H-imidazol-5-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;6-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-2-[5-fluoro-4-(3-methylidene-4H-1,4-benzoxazin-7-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-2-[2-(3-methylidene-4H-1,4-benzoxazin-7-yl)-1H-imidazol-5-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-2-[5-(3-methylidene-4H-1,4-benzoxazin-7-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
CID 167564588
6-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-2-[5-(3-methylidene-4H-1,4-benzoxazin-7-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-5-[4-fluoro-2-(3-methylidene-4H-1,4-benzoxazin-7-yl)-1H-imidazol-5-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-5-[5-fluoro-4-(3-methylidene-4H-1,4-benzoxazin-7-yl)-1H-imidazol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-5-[2-(3-methylidene-4H-1,4-benzoxazin-7-yl)-1H-imidazol-5-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-5-[5-(3-methylidene-4H-1,4-benzoxazin-7-yl)-1H-imidazol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one
CID 167596423
6-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-2-[4-fluoro-2-(3-methylidene-4H-1,4-benzoxazin-7-yl)-1H-imidazol-5-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-5-[4-fluoro-2-(3-methylidene-4H-1,4-benzoxazin-7-yl)-1H-imidazol-5-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-5-[5-fluoro-4-(3-methylidene-4H-1,4-benzoxazin-7-yl)-1H-imidazol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-5-[2-(3-methylidene-4H-1,4-benzoxazin-7-yl)-1H-imidazol-5-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-5-[5-(3-methylidene-4H-1,4-benzoxazin-7-yl)-1H-imidazol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one
CID 167633655
2-[2-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-fluorophenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-3-(trifluoromethyl)phenoxy]-N-propan-2-ylacetamide;4-cyclopropyl-5-[[5-[4-(1H-imidazol-2-yl)phenyl]-2-methyl-1,2,4-triazol-3-yl]methyl]-1H-indazole;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-[2-fluoro-4-[5-(1H-indazol-5-ylmethyl)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylmethyl)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide
CID 167651948
6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-(2-methylidene-1,3-dihydroindol-5-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-(3-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-(2-methylidene-1,3-dihydroindol-5-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-[6-methyl-2-(trifluoromethyl)-3-pyridinyl]-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(trifluoromethoxy)phenyl]-2-[5-(2-fluoro-6-methyl-3-pyridinyl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
CID 167681938
2-Methoxyethyl 6-chloro-1-[4-(2-imidazol-1-ylethoxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;2-methoxyethyl 6-chloro-1-[4-(2-pyrazol-1-ylethoxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;2-methoxyethyl 6-chloro-1-[4-[2-(triazol-1-yl)ethoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;2-methoxyethyl 6-chloro-1-[4-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;2-methylpropyl 6-chloro-1-[4-[2-(pyridin-4-ylamino)ethoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate
CID 157064022
(4-chlorophenyl) (1S)-6-chloro-1-(4-prop-2-enoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-fluorophenyl) 6-chloro-1-[3-[3-(1,2,4-triazol-1-yl)propoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;2-(1,2,4-triazol-1-yl)ethyl 6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;2-(triazol-1-yl)ethyl 6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;2-(triazol-2-yl)ethyl 6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate
CID 157205601

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-4-(3,4-dihydro-2H-1,4-benzoxazin-7-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-(3,4-dihydro-2H-1,4-benzoxazin-7-yl)-5-fluoro-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-(3,4-dihydro-2H-1,4-benzoxazin-7-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(1,3-dimethylindazol-6-yl)-5-fluoro-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-(1,3-dimethylindazol-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one?
The IUPAC name of 2-[5-chloro-4-(3,4-dihydro-2H-1,4-benzoxazin-7-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-(3,4-dihydro-2H-1,4-benzoxazin-7-yl)-5-fluoro-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-(3,4-dihydro-2H-1,4-benzoxazin-7-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(1,3-dimethylindazol-6-yl)-5-fluoro-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-(1,3-dimethylindazol-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one (CID 167558417) is 2-[5-chloro-4-(3,4-dihydro-2H-1,4-benzoxazin-7-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-(3,4-dihydro-2H-1,4-benzoxazin-7-yl)-5-fluoro-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-(3,4-dihydro-2H-1,4-benzoxazin-7-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(1,3-dimethylindazol-6-yl)-5-fluoro-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-(1,3-dimethylindazol-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one.
What is the SMILES notation for 2-[5-chloro-4-(3,4-dihydro-2H-1,4-benzoxazin-7-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-(3,4-dihydro-2H-1,4-benzoxazin-7-yl)-5-fluoro-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-(3,4-dihydro-2H-1,4-benzoxazin-7-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(1,3-dimethylindazol-6-yl)-5-fluoro-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-(1,3-dimethylindazol-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one?
The canonical SMILES for 2-[5-chloro-4-(3,4-dihydro-2H-1,4-benzoxazin-7-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-(3,4-dihydro-2H-1,4-benzoxazin-7-yl)-5-fluoro-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-(3,4-dihydro-2H-1,4-benzoxazin-7-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(1,3-dimethylindazol-6-yl)-5-fluoro-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-(1,3-dimethylindazol-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one is Cc1nn(C)c2cc(-c3cnc(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)[nH]3)ccc12.Cc1nn(C)c2cc(-c3nc(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)[nH]c3F)ccc12.O=c1cc(-c2cc(Cl)ccc2-n2cnnn2)cc2n1C(c1nc(-c3ccc4c(c3)OCCN4)c(Cl)[nH]1)C1CC21.O=c1cc(-c2cc(Cl)ccc2-n2cnnn2)cc2n1C(c1nc(-c3ccc4c(c3)OCCN4)c(F)[nH]1)C1CC21.O=c1cc(-c2cc(Cl)ccc2-n2cnnn2)cc2n1C(c1ncc(-c3ccc4c(c3)OCCN4)[nH]1)C1CC21.
What is the InChIKey of 2-[5-chloro-4-(3,4-dihydro-2H-1,4-benzoxazin-7-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-(3,4-dihydro-2H-1,4-benzoxazin-7-yl)-5-fluoro-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-(3,4-dihydro-2H-1,4-benzoxazin-7-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(1,3-dimethylindazol-6-yl)-5-fluoro-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-(1,3-dimethylindazol-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one?
The InChIKey is DHXHHEGEPDFASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21ClFN9O.C28H22ClN9O.C27H20Cl2N8O2.C27H20ClFN8O2.C27H21ClN8O2/c1-13-17-5-3-14(7-22(17)37(2)34-13)25-27(30)33-28(32-25)26-20-11-19(20)23-8-15(9-24(40)39(23)26)18-10-16(29)4-6-21(18)38-12-31-35-36-38;1-14-18-5-3-15(7-24(18)36(2)33-14)22-12-30-28(32-22)27-21-11-20(21)25-8-16(9-26(39)38(25)27)19-10-17(29)4-6-23(19)37-13-31-34-35-37;2*28-15-2-4-20(36-12-31-34-35-36)16(10-15)14-7-21-17-11-18(17)25(37(21)23(38)9-14)27-32-24(26(29)33-27)13-1-3-19-22(8-13)39-6-5-30-19;28-16-2-4-22(35-13-31-33-34-35)17(10-16)15-7-23-18-11-19(18)26(36(23)25(37)9-15)27-30-12-21(32-27)14-1-3-20-24(8-14)38-6-5-29-20/h3-10,12,19-20,26H,11H2,1-2H3,(H,32,33);3-10,12-13,20-21,27H,11H2,1-2H3,(H,30,32);2*1-4,7-10,12,17-18,25,30H,5-6,11H2,(H,32,33);1-4,7-10,12-13,18-19,26,29H,5-6,11H2,(H,30,32).
What are the key properties of 2-[5-chloro-4-(3,4-dihydro-2H-1,4-benzoxazin-7-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-(3,4-dihydro-2H-1,4-benzoxazin-7-yl)-5-fluoro-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-(3,4-dihydro-2H-1,4-benzoxazin-7-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(1,3-dimethylindazol-6-yl)-5-fluoro-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-(1,3-dimethylindazol-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one?
2-[5-chloro-4-(3,4-dihydro-2H-1,4-benzoxazin-7-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-(3,4-dihydro-2H-1,4-benzoxazin-7-yl)-5-fluoro-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-(3,4-dihydro-2H-1,4-benzoxazin-7-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(1,3-dimethylindazol-6-yl)-5-fluoro-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-(1,3-dimethylindazol-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one has a molecular weight of 2717.34 g/mol, XLogP of 21.94, 20 rotatable bonds, 8 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-4-(3,4-dihydro-2H-1,4-benzoxazin-7-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-(3,4-dihydro-2H-1,4-benzoxazin-7-yl)-5-fluoro-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-(3,4-dihydro-2H-1,4-benzoxazin-7-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(1,3-dimethylindazol-6-yl)-5-fluoro-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-(1,3-dimethylindazol-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one is sourced from PubChem (CID 167558417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).