ethyl 2-[5,7-dimethyl-2-oxo-3-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]benzimidazol-1-yl]acetate;methyl 2-[5,7-dimethyl-2-oxo-3-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]benzimidazol-1-yl]acetate;2-[3-(4-methylsulfanyl-1,3-thiazol-2-yl)-2-oxobenzimidazol-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;2-[3-(4-methylsulfonyl-1,3-thiazol-2-yl)-2-oxobenzimidazol-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;2-(2-oxo-3-pyrimidin-5-ylbenzimidazol-1-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)-2-[2-oxo-1'-(2,2,2-trifluoroethyl)spiro[indole-3,4'-piperidine]-1-yl]acetamide;N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)-2-[1'-(2,2,2-trifluoroethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]acetamide

C205H179F6N39O26S4 — CID 159216651

IUPACethyl 2-[5,7-dimethyl-2-oxo-3-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]benzimidazol-1-yl]acetate;methyl 2-[5,7-dimethyl-2-oxo-3-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]benzimidazol-1-yl]acetate;2-[3-(4-methylsulfanyl-1,3-thiazol-2-yl)-2-oxobenzimidazol-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;2-[3-(4-methylsulfonyl-1,3-thiazol-2-yl)-2-oxobenzimidazol-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;2-(2-oxo-3-pyrimidin-5-ylbenzimidazol-1-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)-2-[2-oxo-1'-(2,2,2-trifluoroethyl)spiro[indole-3,4'-piperidine]-1-yl]acetamide;N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)-2-[1'-(2,2,2-trifluoroethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]acetamide
SMILESCCOC(=O)Cn1c(=O)n(CC(=O)Nc2ccc3c(c2)CC2(C3)C(=O)Nc3ncccc32)c2cc(C)cc(C)c21.COC(=O)Cn1c(=O)n(CC(=O)Nc2ccc3c(c2)CC2(C3)C(=O)Nc3ncccc32)c2cc(C)cc(C)c21.CS(=O)(=O)c1csc(-n2c(=O)n(CC(=O)Nc3ccc4c(c3)CC3(C4)C(=O)Nc4ncccc43)c3ccccc32)n1.CSc1csc(-n2c(=O)n(CC(=O)Nc3ccc4c(c3)CC3(C4)C(=O)Nc4ncccc43)c3ccccc32)n1.O=C(CN1C(=O)C2(CCN(CC(F)(F)F)CC2)c2ccccc21)Nc1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21.O=C(CN1CC2(CCN(CC(F)(F)F)CC2)c2ccccc21)Nc1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21.O=C(Cn1c(=O)n(-c2cncnc2)c2ccccc21)Nc1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21
InChIInChI=1S/C31H28F3N5O3.C31H30F3N5O2.C30H29N5O5.C29H27N5O5.C28H21N7O3.C28H22N6O5S2.C28H22N6O3S2/c32-31(33,34)18-38-12-9-29(10-13-38)22-4-1-2-6-24(22)39(28(29)42)17-25(40)36-21-8-7-19-15-30(16-20(19)14-21)23-5-3-11-35-26(23)37-27(30)41;32-31(33,34)19-38-12-9-29(10-13-38)18-39(25-6-2-1-4-23(25)29)17-26(40)36-22-8-7-20-15-30(16-21(20)14-22)24-5-3-11-35-27(24)37-28(30)41;1-4-40-25(37)16-35-26-18(3)10-17(2)11-23(26)34(29(35)39)15-24(36)32-21-8-7-19-13-30(14-20(19)12-21)22-6-5-9-31-27(22)33-28(30)38;1-16-9-17(2)25-22(10-16)33(28(38)34(25)15-24(36)39-3)14-23(35)31-20-7-6-18-12-29(13-19(18)11-20)21-5-4-8-30-26(21)32-27(29)37;36-24(15-34-22-5-1-2-6-23(22)35(27(34)38)20-13-29-16-30-14-20)32-19-8-7-17-11-28(12-18(17)10-19)21-4-3-9-31-25(21)33-26(28)37;1-41(38,39)23-15-40-26(31-23)34-21-7-3-2-6-20(21)33(27(34)37)14-22(35)30-18-9-8-16-12-28(13-17(16)11-18)19-5-4-10-29-24(19)32-25(28)36;1-38-23-15-39-26(31-23)34-21-7-3-2-6-20(21)33(27(34)37)14-22(35)30-18-9-8-16-12-28(13-17(16)11-18)19-5-4-10-29-24(19)32-25(28)36/h1-8,11,14H,9-10,12-13,15-18H2,(H,36,40)(H,35,37,41);1-8,11,14H,9-10,12-13,15-19H2,(H,36,40)(H,35,37,41);5-12H,4,13-16H2,1-3H3,(H,32,36)(H,31,33,38);4-11H,12-15H2,1-3H3,(H,31,35)(H,30,32,37);1-10,13-14,16H,11-12,15H2,(H,32,36)(H,31,33,37);2-11,15H,12-14H2,1H3,(H,30,35)(H,29,32,36);2-11,15H,12-14H2,1H3,(H,30,35)(H,29,32,36)
InChIKeyKRDTVMNIVIKMDV-UHFFFAOYSA-N
MW3847.19 g/mol
LogP23.27
Rot. Bonds33

About ethyl 2-[5,7-dimethyl-2-oxo-3-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]benzimidazol-1-yl]acetate;methyl 2-[5,7-dimethyl-2-oxo-3-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]benzimidazol-1-yl]acetate;2-[3-(4-methylsulfanyl-1,3-thiazol-2-yl)-2-oxobenzimidazol-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;2-[3-(4-methylsulfonyl-1,3-thiazol-2-yl)-2-oxobenzimidazol-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;2-(2-oxo-3-pyrimidin-5-ylbenzimidazol-1-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)-2-[2-oxo-1'-(2,2,2-trifluoroethyl)spiro[indole-3,4'-piperidine]-1-yl]acetamide;N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)-2-[1'-(2,2,2-trifluoroethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]acetamide

ethyl 2-[5,7-dimethyl-2-oxo-3-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]benzimidazol-1-yl]acetate;methyl 2-[5,7-dimethyl-2-oxo-3-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]benzimidazol-1-yl]acetate;2-[3-(4-methylsulfanyl-1,3-thiazol-2-yl)-2-oxobenzimidazol-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;2-[3-(4-methylsulfonyl-1,3-thiazol-2-yl)-2-oxobenzimidazol-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;2-(2-oxo-3-pyrimidin-5-ylbenzimidazol-1-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)-2-[2-oxo-1'-(2,2,2-trifluoroethyl)spiro[indole-3,4'-piperidine]-1-yl]acetamide;N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)-2-[1'-(2,2,2-trifluoroethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]acetamide (PubChem CID 159216651) has the molecular formula C205H179F6N39O26S4 and a molecular weight of 3847.19 g/mol. Its IUPAC name is ethyl 2-[5,7-dimethyl-2-oxo-3-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]benzimidazol-1-yl]acetate;methyl 2-[5,7-dimethyl-2-oxo-3-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]benzimidazol-1-yl]acetate;2-[3-(4-methylsulfanyl-1,3-thiazol-2-yl)-2-oxobenzimidazol-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;2-[3-(4-methylsulfonyl-1,3-thiazol-2-yl)-2-oxobenzimidazol-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;2-(2-oxo-3-pyrimidin-5-ylbenzimidazol-1-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)-2-[2-oxo-1'-(2,2,2-trifluoroethyl)spiro[indole-3,4'-piperidine]-1-yl]acetamide;N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)-2-[1'-(2,2,2-trifluoroethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]acetamide.

Molecular Properties

Compound Nameethyl 2-[5,7-dimethyl-2-oxo-3-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]benzimidazol-1-yl]acetate;methyl 2-[5,7-dimethyl-2-oxo-3-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]benzimidazol-1-yl]acetate;2-[3-(4-methylsulfanyl-1,3-thiazol-2-yl)-2-oxobenzimidazol-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;2-[3-(4-methylsulfonyl-1,3-thiazol-2-yl)-2-oxobenzimidazol-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;2-(2-oxo-3-pyrimidin-5-ylbenzimidazol-1-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)-2-[2-oxo-1'-(2,2,2-trifluoroethyl)spiro[indole-3,4'-piperidine]-1-yl]acetamide;N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)-2-[1'-(2,2,2-trifluoroethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]acetamide
PubChem CID159216651
Molecular FormulaC205H179F6N39O26S4
Molecular Weight3847.19 g/mol
Exact Mass3844.27
IUPAC Nameethyl 2-[5,7-dimethyl-2-oxo-3-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]benzimidazol-1-yl]acetate;methyl 2-[5,7-dimethyl-2-oxo-3-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]benzimidazol-1-yl]acetate;2-[3-(4-methylsulfanyl-1,3-thiazol-2-yl)-2-oxobenzimidazol-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;2-[3-(4-methylsulfonyl-1,3-thiazol-2-yl)-2-oxobenzimidazol-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;2-(2-oxo-3-pyrimidin-5-ylbenzimidazol-1-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)-2-[2-oxo-1'-(2,2,2-trifluoroethyl)spiro[indole-3,4'-piperidine]-1-yl]acetamide;N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)-2-[1'-(2,2,2-trifluoroethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]acetamide
SMILESCCOC(=O)Cn1c(=O)n(CC(=O)Nc2ccc3c(c2)CC2(C3)C(=O)Nc3ncccc32)c2cc(C)cc(C)c21.COC(=O)Cn1c(=O)n(CC(=O)Nc2ccc3c(c2)CC2(C3)C(=O)Nc3ncccc32)c2cc(C)cc(C)c21.CS(=O)(=O)c1csc(-n2c(=O)n(CC(=O)Nc3ccc4c(c3)CC3(C4)C(=O)Nc4ncccc43)c3ccccc32)n1.CSc1csc(-n2c(=O)n(CC(=O)Nc3ccc4c(c3)CC3(C4)C(=O)Nc4ncccc43)c3ccccc32)n1.O=C(CN1C(=O)C2(CCN(CC(F)(F)F)CC2)c2ccccc21)Nc1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21.O=C(CN1CC2(CCN(CC(F)(F)F)CC2)c2ccccc21)Nc1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21.O=C(Cn1c(=O)n(-c2cncnc2)c2ccccc21)Nc1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21
InChIInChI=1S/C31H28F3N5O3.C31H30F3N5O2.C30H29N5O5.C29H27N5O5.C28H21N7O3.C28H22N6O5S2.C28H22N6O3S2/c32-31(33,34)18-38-12-9-29(10-13-38)22-4-1-2-6-24(22)39(28(29)42)17-25(40)36-21-8-7-19-15-30(16-20(19)14-21)23-5-3-11-35-26(23)37-27(30)41;32-31(33,34)19-38-12-9-29(10-13-38)18-39(25-6-2-1-4-23(25)29)17-26(40)36-22-8-7-20-15-30(16-21(20)14-22)24-5-3-11-35-27(24)37-28(30)41;1-4-40-25(37)16-35-26-18(3)10-17(2)11-23(26)34(29(35)39)15-24(36)32-21-8-7-19-13-30(14-20(19)12-21)22-6-5-9-31-27(22)33-28(30)38;1-16-9-17(2)25-22(10-16)33(28(38)34(25)15-24(36)39-3)14-23(35)31-20-7-6-18-12-29(13-19(18)11-20)21-5-4-8-30-26(21)32-27(29)37;36-24(15-34-22-5-1-2-6-23(22)35(27(34)38)20-13-29-16-30-14-20)32-19-8-7-17-11-28(12-18(17)10-19)21-4-3-9-31-25(21)33-26(28)37;1-41(38,39)23-15-40-26(31-23)34-21-7-3-2-6-20(21)33(27(34)37)14-22(35)30-18-9-8-16-12-28(13-17(16)11-18)19-5-4-10-29-24(19)32-25(28)36;1-38-23-15-39-26(31-23)34-21-7-3-2-6-20(21)33(27(34)37)14-22(35)30-18-9-8-16-12-28(13-17(16)11-18)19-5-4-10-29-24(19)32-25(28)36/h1-8,11,14H,9-10,12-13,15-18H2,(H,36,40)(H,35,37,41);1-8,11,14H,9-10,12-13,15-19H2,(H,36,40)(H,35,37,41);5-12H,4,13-16H2,1-3H3,(H,32,36)(H,31,33,38);4-11H,12-15H2,1-3H3,(H,31,35)(H,30,32,37);1-10,13-14,16H,11-12,15H2,(H,32,36)(H,31,33,37);2-11,15H,12-14H2,1H3,(H,30,35)(H,29,32,36);2-11,15H,12-14H2,1H3,(H,30,35)(H,29,32,36)
InChIKeyKRDTVMNIVIKMDV-UHFFFAOYSA-N
XLogP23.27
TPSA800.61 Ų
H-Bond Donors14
H-Bond Acceptors53
Rotatable Bonds33
Heavy Atoms280
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003847.19
LogP ≤ 523.27
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1053

Analyze ethyl 2-[5,7-dimethyl-2-oxo-3-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]benzimidazol-1-yl]acetate;methyl 2-[5,7-dimethyl-2-oxo-3-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]benzimidazol-1-yl]acetate;2-[3-(4-methylsulfanyl-1,3-thiazol-2-yl)-2-oxobenzimidazol-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;2-[3-(4-methylsulfonyl-1,3-thiazol-2-yl)-2-oxobenzimidazol-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;2-(2-oxo-3-pyrimidin-5-ylbenzimidazol-1-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)-2-[2-oxo-1'-(2,2,2-trifluoroethyl)spiro[indole-3,4'-piperidine]-1-yl]acetamide;N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)-2-[1'-(2,2,2-trifluoroethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5,7-dimethyl-2-oxo-3-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]benzimidazol-1-yl]acetate;methyl 2-[5,7-dimethyl-2-oxo-3-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]benzimidazol-1-yl]acetate;2-[3-(4-methylsulfanyl-1,3-thiazol-2-yl)-2-oxobenzimidazol-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;2-[3-(4-methylsulfonyl-1,3-thiazol-2-yl)-2-oxobenzimidazol-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;2-(2-oxo-3-pyrimidin-5-ylbenzimidazol-1-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)-2-[2-oxo-1'-(2,2,2-trifluoroethyl)spiro[indole-3,4'-piperidine]-1-yl]acetamide;N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)-2-[1'-(2,2,2-trifluoroethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]acetamide?
The IUPAC name of ethyl 2-[5,7-dimethyl-2-oxo-3-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]benzimidazol-1-yl]acetate;methyl 2-[5,7-dimethyl-2-oxo-3-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]benzimidazol-1-yl]acetate;2-[3-(4-methylsulfanyl-1,3-thiazol-2-yl)-2-oxobenzimidazol-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;2-[3-(4-methylsulfonyl-1,3-thiazol-2-yl)-2-oxobenzimidazol-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;2-(2-oxo-3-pyrimidin-5-ylbenzimidazol-1-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)-2-[2-oxo-1'-(2,2,2-trifluoroethyl)spiro[indole-3,4'-piperidine]-1-yl]acetamide;N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)-2-[1'-(2,2,2-trifluoroethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]acetamide (CID 159216651) is ethyl 2-[5,7-dimethyl-2-oxo-3-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]benzimidazol-1-yl]acetate;methyl 2-[5,7-dimethyl-2-oxo-3-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]benzimidazol-1-yl]acetate;2-[3-(4-methylsulfanyl-1,3-thiazol-2-yl)-2-oxobenzimidazol-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;2-[3-(4-methylsulfonyl-1,3-thiazol-2-yl)-2-oxobenzimidazol-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;2-(2-oxo-3-pyrimidin-5-ylbenzimidazol-1-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)-2-[2-oxo-1'-(2,2,2-trifluoroethyl)spiro[indole-3,4'-piperidine]-1-yl]acetamide;N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)-2-[1'-(2,2,2-trifluoroethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]acetamide.
What is the SMILES notation for ethyl 2-[5,7-dimethyl-2-oxo-3-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]benzimidazol-1-yl]acetate;methyl 2-[5,7-dimethyl-2-oxo-3-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]benzimidazol-1-yl]acetate;2-[3-(4-methylsulfanyl-1,3-thiazol-2-yl)-2-oxobenzimidazol-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;2-[3-(4-methylsulfonyl-1,3-thiazol-2-yl)-2-oxobenzimidazol-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;2-(2-oxo-3-pyrimidin-5-ylbenzimidazol-1-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)-2-[2-oxo-1'-(2,2,2-trifluoroethyl)spiro[indole-3,4'-piperidine]-1-yl]acetamide;N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)-2-[1'-(2,2,2-trifluoroethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]acetamide?
The canonical SMILES for ethyl 2-[5,7-dimethyl-2-oxo-3-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]benzimidazol-1-yl]acetate;methyl 2-[5,7-dimethyl-2-oxo-3-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]benzimidazol-1-yl]acetate;2-[3-(4-methylsulfanyl-1,3-thiazol-2-yl)-2-oxobenzimidazol-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;2-[3-(4-methylsulfonyl-1,3-thiazol-2-yl)-2-oxobenzimidazol-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;2-(2-oxo-3-pyrimidin-5-ylbenzimidazol-1-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)-2-[2-oxo-1'-(2,2,2-trifluoroethyl)spiro[indole-3,4'-piperidine]-1-yl]acetamide;N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)-2-[1'-(2,2,2-trifluoroethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]acetamide is CCOC(=O)Cn1c(=O)n(CC(=O)Nc2ccc3c(c2)CC2(C3)C(=O)Nc3ncccc32)c2cc(C)cc(C)c21.COC(=O)Cn1c(=O)n(CC(=O)Nc2ccc3c(c2)CC2(C3)C(=O)Nc3ncccc32)c2cc(C)cc(C)c21.CS(=O)(=O)c1csc(-n2c(=O)n(CC(=O)Nc3ccc4c(c3)CC3(C4)C(=O)Nc4ncccc43)c3ccccc32)n1.CSc1csc(-n2c(=O)n(CC(=O)Nc3ccc4c(c3)CC3(C4)C(=O)Nc4ncccc43)c3ccccc32)n1.O=C(CN1C(=O)C2(CCN(CC(F)(F)F)CC2)c2ccccc21)Nc1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21.O=C(CN1CC2(CCN(CC(F)(F)F)CC2)c2ccccc21)Nc1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21.O=C(Cn1c(=O)n(-c2cncnc2)c2ccccc21)Nc1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21.
What is the InChIKey of ethyl 2-[5,7-dimethyl-2-oxo-3-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]benzimidazol-1-yl]acetate;methyl 2-[5,7-dimethyl-2-oxo-3-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]benzimidazol-1-yl]acetate;2-[3-(4-methylsulfanyl-1,3-thiazol-2-yl)-2-oxobenzimidazol-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;2-[3-(4-methylsulfonyl-1,3-thiazol-2-yl)-2-oxobenzimidazol-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;2-(2-oxo-3-pyrimidin-5-ylbenzimidazol-1-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)-2-[2-oxo-1'-(2,2,2-trifluoroethyl)spiro[indole-3,4'-piperidine]-1-yl]acetamide;N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)-2-[1'-(2,2,2-trifluoroethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]acetamide?
The InChIKey is KRDTVMNIVIKMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28F3N5O3.C31H30F3N5O2.C30H29N5O5.C29H27N5O5.C28H21N7O3.C28H22N6O5S2.C28H22N6O3S2/c32-31(33,34)18-38-12-9-29(10-13-38)22-4-1-2-6-24(22)39(28(29)42)17-25(40)36-21-8-7-19-15-30(16-20(19)14-21)23-5-3-11-35-26(23)37-27(30)41;32-31(33,34)19-38-12-9-29(10-13-38)18-39(25-6-2-1-4-23(25)29)17-26(40)36-22-8-7-20-15-30(16-21(20)14-22)24-5-3-11-35-27(24)37-28(30)41;1-4-40-25(37)16-35-26-18(3)10-17(2)11-23(26)34(29(35)39)15-24(36)32-21-8-7-19-13-30(14-20(19)12-21)22-6-5-9-31-27(22)33-28(30)38;1-16-9-17(2)25-22(10-16)33(28(38)34(25)15-24(36)39-3)14-23(35)31-20-7-6-18-12-29(13-19(18)11-20)21-5-4-8-30-26(21)32-27(29)37;36-24(15-34-22-5-1-2-6-23(22)35(27(34)38)20-13-29-16-30-14-20)32-19-8-7-17-11-28(12-18(17)10-19)21-4-3-9-31-25(21)33-26(28)37;1-41(38,39)23-15-40-26(31-23)34-21-7-3-2-6-20(21)33(27(34)37)14-22(35)30-18-9-8-16-12-28(13-17(16)11-18)19-5-4-10-29-24(19)32-25(28)36;1-38-23-15-39-26(31-23)34-21-7-3-2-6-20(21)33(27(34)37)14-22(35)30-18-9-8-16-12-28(13-17(16)11-18)19-5-4-10-29-24(19)32-25(28)36/h1-8,11,14H,9-10,12-13,15-18H2,(H,36,40)(H,35,37,41);1-8,11,14H,9-10,12-13,15-19H2,(H,36,40)(H,35,37,41);5-12H,4,13-16H2,1-3H3,(H,32,36)(H,31,33,38);4-11H,12-15H2,1-3H3,(H,31,35)(H,30,32,37);1-10,13-14,16H,11-12,15H2,(H,32,36)(H,31,33,37);2-11,15H,12-14H2,1H3,(H,30,35)(H,29,32,36);2-11,15H,12-14H2,1H3,(H,30,35)(H,29,32,36).
What are the key properties of ethyl 2-[5,7-dimethyl-2-oxo-3-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]benzimidazol-1-yl]acetate;methyl 2-[5,7-dimethyl-2-oxo-3-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]benzimidazol-1-yl]acetate;2-[3-(4-methylsulfanyl-1,3-thiazol-2-yl)-2-oxobenzimidazol-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;2-[3-(4-methylsulfonyl-1,3-thiazol-2-yl)-2-oxobenzimidazol-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;2-(2-oxo-3-pyrimidin-5-ylbenzimidazol-1-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)-2-[2-oxo-1'-(2,2,2-trifluoroethyl)spiro[indole-3,4'-piperidine]-1-yl]acetamide;N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)-2-[1'-(2,2,2-trifluoroethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]acetamide?
ethyl 2-[5,7-dimethyl-2-oxo-3-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]benzimidazol-1-yl]acetate;methyl 2-[5,7-dimethyl-2-oxo-3-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]benzimidazol-1-yl]acetate;2-[3-(4-methylsulfanyl-1,3-thiazol-2-yl)-2-oxobenzimidazol-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;2-[3-(4-methylsulfonyl-1,3-thiazol-2-yl)-2-oxobenzimidazol-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;2-(2-oxo-3-pyrimidin-5-ylbenzimidazol-1-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)-2-[2-oxo-1'-(2,2,2-trifluoroethyl)spiro[indole-3,4'-piperidine]-1-yl]acetamide;N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)-2-[1'-(2,2,2-trifluoroethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]acetamide has a molecular weight of 3847.19 g/mol, XLogP of 23.27, 33 rotatable bonds, 14 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5,7-dimethyl-2-oxo-3-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]benzimidazol-1-yl]acetate;methyl 2-[5,7-dimethyl-2-oxo-3-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]benzimidazol-1-yl]acetate;2-[3-(4-methylsulfanyl-1,3-thiazol-2-yl)-2-oxobenzimidazol-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;2-[3-(4-methylsulfonyl-1,3-thiazol-2-yl)-2-oxobenzimidazol-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;2-(2-oxo-3-pyrimidin-5-ylbenzimidazol-1-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)-2-[2-oxo-1'-(2,2,2-trifluoroethyl)spiro[indole-3,4'-piperidine]-1-yl]acetamide;N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)-2-[1'-(2,2,2-trifluoroethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]acetamide is sourced from PubChem (CID 159216651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).