About 2-(4-acetamido-3-methyl-2H-benzimidazol-1-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;2-[4,6-dimethyl-1-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]indol-3-yl]acetamide;bis(2-(1',2-dioxospiro[indole-3,4'-thiane]-1-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide);2-[3-(1,1-dioxothian-4-yl)-2-oxobenzimidazol-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;bis(2-[2-oxo-3-(1-oxothian-4-yl)benzimidazol-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide)
2-(4-acetamido-3-methyl-2H-benzimidazol-1-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;2-[4,6-dimethyl-1-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]indol-3-yl]acetamide;bis(2-(1',2-dioxospiro[indole-3,4'-thiane]-1-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide);2-[3-(1,1-dioxothian-4-yl)-2-oxobenzimidazol-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;bis(2-[2-oxo-3-(1-oxothian-4-yl)benzimidazol-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide) (PubChem CID 159035969) has the molecular formula C201H186N34O27S5
and a molecular weight of 3670.24 g/mol. Its IUPAC name is 2-(4-acetamido-3-methyl-2H-benzimidazol-1-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;2-[4,6-dimethyl-1-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]indol-3-yl]acetamide;bis(2-(1',2-dioxospiro[indole-3,4'-thiane]-1-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide);2-[3-(1,1-dioxothian-4-yl)-2-oxobenzimidazol-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;bis(2-[2-oxo-3-(1-oxothian-4-yl)benzimidazol-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide).
Frequently Asked Questions
What is the IUPAC name of 2-(4-acetamido-3-methyl-2H-benzimidazol-1-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;2-[4,6-dimethyl-1-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]indol-3-yl]acetamide;bis(2-(1',2-dioxospiro[indole-3,4'-thiane]-1-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide);2-[3-(1,1-dioxothian-4-yl)-2-oxobenzimidazol-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;bis(2-[2-oxo-3-(1-oxothian-4-yl)benzimidazol-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide)?
The IUPAC name of 2-(4-acetamido-3-methyl-2H-benzimidazol-1-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;2-[4,6-dimethyl-1-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]indol-3-yl]acetamide;bis(2-(1',2-dioxospiro[indole-3,4'-thiane]-1-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide);2-[3-(1,1-dioxothian-4-yl)-2-oxobenzimidazol-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;bis(2-[2-oxo-3-(1-oxothian-4-yl)benzimidazol-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide) (CID 159035969) is 2-(4-acetamido-3-methyl-2H-benzimidazol-1-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;2-[4,6-dimethyl-1-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]indol-3-yl]acetamide;bis(2-(1',2-dioxospiro[indole-3,4'-thiane]-1-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide);2-[3-(1,1-dioxothian-4-yl)-2-oxobenzimidazol-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;bis(2-[2-oxo-3-(1-oxothian-4-yl)benzimidazol-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide).
What is the SMILES notation for 2-(4-acetamido-3-methyl-2H-benzimidazol-1-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;2-[4,6-dimethyl-1-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]indol-3-yl]acetamide;bis(2-(1',2-dioxospiro[indole-3,4'-thiane]-1-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide);2-[3-(1,1-dioxothian-4-yl)-2-oxobenzimidazol-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;bis(2-[2-oxo-3-(1-oxothian-4-yl)benzimidazol-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide)?
The canonical SMILES for 2-(4-acetamido-3-methyl-2H-benzimidazol-1-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;2-[4,6-dimethyl-1-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]indol-3-yl]acetamide;bis(2-(1',2-dioxospiro[indole-3,4'-thiane]-1-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide);2-[3-(1,1-dioxothian-4-yl)-2-oxobenzimidazol-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;bis(2-[2-oxo-3-(1-oxothian-4-yl)benzimidazol-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide) is CC(=O)Nc1cccc2c1N(C)CN2CC(=O)Nc1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21.Cc1cc(C)c2c(CC(N)=O)cn(CC(=O)Nc3ccc4c(c3)CC3(C4)C(=O)Nc4ncccc43)c2c1.O=C(CN1C(=O)C2(CCS(=O)CC2)c2ccccc21)Nc1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21.O=C(CN1C(=O)C2(CCS(=O)CC2)c2ccccc21)Nc1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21.O=C(Cn1c(=O)n(C2CCS(=O)(=O)CC2)c2ccccc21)Nc1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21.O=C(Cn1c(=O)n(C2CCS(=O)CC2)c2ccccc21)Nc1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21.O=C(Cn1c(=O)n(C2CCS(=O)CC2)c2ccccc21)Nc1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21.
What is the InChIKey of 2-(4-acetamido-3-methyl-2H-benzimidazol-1-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;2-[4,6-dimethyl-1-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]indol-3-yl]acetamide;bis(2-(1',2-dioxospiro[indole-3,4'-thiane]-1-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide);2-[3-(1,1-dioxothian-4-yl)-2-oxobenzimidazol-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;bis(2-[2-oxo-3-(1-oxothian-4-yl)benzimidazol-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide)?
The InChIKey is JVLQKTVKPZZUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N5O5S.2C29H27N5O4S.C29H27N5O3.2C29H26N4O4S.C27H26N6O3/c35-25(17-33-23-5-1-2-6-24(23)34(28(33)37)21-9-12-40(38,39)13-10-21)31-20-8-7-18-15-29(16-19(18)14-20)22-4-3-11-30-26(22)32-27(29)36;2*35-25(17-33-23-5-1-2-6-24(23)34(28(33)37)21-9-12-39(38)13-10-21)31-20-8-7-18-15-29(16-19(18)14-20)22-4-3-11-30-26(22)32-27(29)36;1-16-8-17(2)26-20(11-24(30)35)14-34(23(26)9-16)15-25(36)32-21-6-5-18-12-29(13-19(18)10-21)22-4-3-7-31-27(22)33-28(29)37;2*34-24(17-33-23-6-2-1-4-21(23)28(27(33)36)9-12-38(37)13-10-28)31-20-8-7-18-15-29(16-19(18)14-20)22-5-3-11-30-25(22)32-26(29)35;1-16(34)29-21-6-3-7-22-24(21)32(2)15-33(22)14-23(35)30-19-9-8-17-12-27(13-18(17)11-19)20-5-4-10-28-25(20)31-26(27)36/h1-8,11,14,21H,9-10,12-13,15-17H2,(H,31,35)(H,30,32,36);2*1-8,11,14,21H,9-10,12-13,15-17H2,(H,31,35)(H,30,32,36);3-10,14H,11-13,15H2,1-2H3,(H2,30,35)(H,32,36)(H,31,33,37);2*1-8,11,14H,9-10,12-13,15-17H2,(H,31,34)(H,30,32,35);3-11H,12-15H2,1-2H3,(H,29,34)(H,30,35)(H,28,31,36).
What are the key properties of 2-(4-acetamido-3-methyl-2H-benzimidazol-1-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;2-[4,6-dimethyl-1-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]indol-3-yl]acetamide;bis(2-(1',2-dioxospiro[indole-3,4'-thiane]-1-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide);2-[3-(1,1-dioxothian-4-yl)-2-oxobenzimidazol-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;bis(2-[2-oxo-3-(1-oxothian-4-yl)benzimidazol-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide)?
2-(4-acetamido-3-methyl-2H-benzimidazol-1-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;2-[4,6-dimethyl-1-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]indol-3-yl]acetamide;bis(2-(1',2-dioxospiro[indole-3,4'-thiane]-1-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide);2-[3-(1,1-dioxothian-4-yl)-2-oxobenzimidazol-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;bis(2-[2-oxo-3-(1-oxothian-4-yl)benzimidazol-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide) has a molecular weight of 3670.24 g/mol, XLogP of 20.25, 27 rotatable bonds, 16 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamido-3-methyl-2H-benzimidazol-1-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;2-[4,6-dimethyl-1-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]indol-3-yl]acetamide;bis(2-(1',2-dioxospiro[indole-3,4'-thiane]-1-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide);2-[3-(1,1-dioxothian-4-yl)-2-oxobenzimidazol-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;bis(2-[2-oxo-3-(1-oxothian-4-yl)benzimidazol-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide) is sourced from PubChem (CID 159035969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).