About 1-(2,2-dimethylpropyl)-5-[2-(2-hydroxyacetyl)-2-azabicyclo[2.2.2]oct-5-en-5-yl]-3-methylimidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-5-[2-(1H-imidazole-5-carbonyl)-2-azabicyclo[2.2.2]oct-5-en-5-yl]-3-methylimidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-[2-(1-methylimidazole-4-carbonyl)-2-azabicyclo[2.2.2]oct-5-en-5-yl]imidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-[2-(1-methylpyrazole-4-carbonyl)-2-azabicyclo[2.2.2]oct-5-en-5-yl]imidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-[2-(pyridine-3-carbonyl)-2-azabicyclo[2.2.2]oct-5-en-5-yl]imidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-[2-(thiadiazole-4-carbonyl)-2-azabicyclo[2.2.2]oct-5-en-5-yl]imidazo[4,5-b]pyridin-2-one
1-(2,2-dimethylpropyl)-5-[2-(2-hydroxyacetyl)-2-azabicyclo[2.2.2]oct-5-en-5-yl]-3-methylimidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-5-[2-(1H-imidazole-5-carbonyl)-2-azabicyclo[2.2.2]oct-5-en-5-yl]-3-methylimidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-[2-(1-methylimidazole-4-carbonyl)-2-azabicyclo[2.2.2]oct-5-en-5-yl]imidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-[2-(1-methylpyrazole-4-carbonyl)-2-azabicyclo[2.2.2]oct-5-en-5-yl]imidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-[2-(pyridine-3-carbonyl)-2-azabicyclo[2.2.2]oct-5-en-5-yl]imidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-[2-(thiadiazole-4-carbonyl)-2-azabicyclo[2.2.2]oct-5-en-5-yl]imidazo[4,5-b]pyridin-2-one (PubChem CID 158304617) has the molecular formula C139H171N33O13S
and a molecular weight of 2544.18 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-5-[2-(2-hydroxyacetyl)-2-azabicyclo[2.2.2]oct-5-en-5-yl]-3-methylimidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-5-[2-(1H-imidazole-5-carbonyl)-2-azabicyclo[2.2.2]oct-5-en-5-yl]-3-methylimidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-[2-(1-methylimidazole-4-carbonyl)-2-azabicyclo[2.2.2]oct-5-en-5-yl]imidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-[2-(1-methylpyrazole-4-carbonyl)-2-azabicyclo[2.2.2]oct-5-en-5-yl]imidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-[2-(pyridine-3-carbonyl)-2-azabicyclo[2.2.2]oct-5-en-5-yl]imidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-[2-(thiadiazole-4-carbonyl)-2-azabicyclo[2.2.2]oct-5-en-5-yl]imidazo[4,5-b]pyridin-2-one.
Frequently Asked Questions
What is the IUPAC name of 1-(2,2-dimethylpropyl)-5-[2-(2-hydroxyacetyl)-2-azabicyclo[2.2.2]oct-5-en-5-yl]-3-methylimidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-5-[2-(1H-imidazole-5-carbonyl)-2-azabicyclo[2.2.2]oct-5-en-5-yl]-3-methylimidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-[2-(1-methylimidazole-4-carbonyl)-2-azabicyclo[2.2.2]oct-5-en-5-yl]imidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-[2-(1-methylpyrazole-4-carbonyl)-2-azabicyclo[2.2.2]oct-5-en-5-yl]imidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-[2-(pyridine-3-carbonyl)-2-azabicyclo[2.2.2]oct-5-en-5-yl]imidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-[2-(thiadiazole-4-carbonyl)-2-azabicyclo[2.2.2]oct-5-en-5-yl]imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 1-(2,2-dimethylpropyl)-5-[2-(2-hydroxyacetyl)-2-azabicyclo[2.2.2]oct-5-en-5-yl]-3-methylimidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-5-[2-(1H-imidazole-5-carbonyl)-2-azabicyclo[2.2.2]oct-5-en-5-yl]-3-methylimidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-[2-(1-methylimidazole-4-carbonyl)-2-azabicyclo[2.2.2]oct-5-en-5-yl]imidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-[2-(1-methylpyrazole-4-carbonyl)-2-azabicyclo[2.2.2]oct-5-en-5-yl]imidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-[2-(pyridine-3-carbonyl)-2-azabicyclo[2.2.2]oct-5-en-5-yl]imidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-[2-(thiadiazole-4-carbonyl)-2-azabicyclo[2.2.2]oct-5-en-5-yl]imidazo[4,5-b]pyridin-2-one (CID 158304617) is 1-(2,2-dimethylpropyl)-5-[2-(2-hydroxyacetyl)-2-azabicyclo[2.2.2]oct-5-en-5-yl]-3-methylimidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-5-[2-(1H-imidazole-5-carbonyl)-2-azabicyclo[2.2.2]oct-5-en-5-yl]-3-methylimidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-[2-(1-methylimidazole-4-carbonyl)-2-azabicyclo[2.2.2]oct-5-en-5-yl]imidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-[2-(1-methylpyrazole-4-carbonyl)-2-azabicyclo[2.2.2]oct-5-en-5-yl]imidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-[2-(pyridine-3-carbonyl)-2-azabicyclo[2.2.2]oct-5-en-5-yl]imidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-[2-(thiadiazole-4-carbonyl)-2-azabicyclo[2.2.2]oct-5-en-5-yl]imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-5-[2-(2-hydroxyacetyl)-2-azabicyclo[2.2.2]oct-5-en-5-yl]-3-methylimidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-5-[2-(1H-imidazole-5-carbonyl)-2-azabicyclo[2.2.2]oct-5-en-5-yl]-3-methylimidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-[2-(1-methylimidazole-4-carbonyl)-2-azabicyclo[2.2.2]oct-5-en-5-yl]imidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-[2-(1-methylpyrazole-4-carbonyl)-2-azabicyclo[2.2.2]oct-5-en-5-yl]imidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-[2-(pyridine-3-carbonyl)-2-azabicyclo[2.2.2]oct-5-en-5-yl]imidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-[2-(thiadiazole-4-carbonyl)-2-azabicyclo[2.2.2]oct-5-en-5-yl]imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 1-(2,2-dimethylpropyl)-5-[2-(2-hydroxyacetyl)-2-azabicyclo[2.2.2]oct-5-en-5-yl]-3-methylimidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-5-[2-(1H-imidazole-5-carbonyl)-2-azabicyclo[2.2.2]oct-5-en-5-yl]-3-methylimidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-[2-(1-methylimidazole-4-carbonyl)-2-azabicyclo[2.2.2]oct-5-en-5-yl]imidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-[2-(1-methylpyrazole-4-carbonyl)-2-azabicyclo[2.2.2]oct-5-en-5-yl]imidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-[2-(pyridine-3-carbonyl)-2-azabicyclo[2.2.2]oct-5-en-5-yl]imidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-[2-(thiadiazole-4-carbonyl)-2-azabicyclo[2.2.2]oct-5-en-5-yl]imidazo[4,5-b]pyridin-2-one is Cn1c(=O)n(CC(C)(C)C)c2ccc(C3=CC4CCC3CN4C(=O)CO)nc21.Cn1c(=O)n(CC(C)(C)C)c2ccc(C3=CC4CCC3CN4C(=O)c3cccnc3)nc21.Cn1c(=O)n(CC(C)(C)C)c2ccc(C3=CC4CCC3CN4C(=O)c3cnc[nH]3)nc21.Cn1c(=O)n(CC(C)(C)C)c2ccc(C3=CC4CCC3CN4C(=O)c3csnn3)nc21.Cn1cc(C(=O)N2CC3CCC2C=C3c2ccc3c(n2)n(C)c(=O)n3CC(C)(C)C)cn1.Cn1cnc(C(=O)N2CC3CCC2C=C3c2ccc3c(n2)n(C)c(=O)n3CC(C)(C)C)c1.
What is the InChIKey of 1-(2,2-dimethylpropyl)-5-[2-(2-hydroxyacetyl)-2-azabicyclo[2.2.2]oct-5-en-5-yl]-3-methylimidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-5-[2-(1H-imidazole-5-carbonyl)-2-azabicyclo[2.2.2]oct-5-en-5-yl]-3-methylimidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-[2-(1-methylimidazole-4-carbonyl)-2-azabicyclo[2.2.2]oct-5-en-5-yl]imidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-[2-(1-methylpyrazole-4-carbonyl)-2-azabicyclo[2.2.2]oct-5-en-5-yl]imidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-[2-(pyridine-3-carbonyl)-2-azabicyclo[2.2.2]oct-5-en-5-yl]imidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-[2-(thiadiazole-4-carbonyl)-2-azabicyclo[2.2.2]oct-5-en-5-yl]imidazo[4,5-b]pyridin-2-one?
The InChIKey is GMXRWQGBCYXAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2.2C24H30N6O2.C23H28N6O2.C22H26N6O2S.C21H28N4O3/c1-25(2,3)15-30-21-10-9-20(27-22(21)28(4)24(30)32)19-12-18-8-7-17(19)14-29(18)23(31)16-6-5-11-26-13-16;1-24(2,3)14-30-20-9-8-19(26-21(20)28(5)23(30)32)18-10-17-7-6-15(18)13-29(17)22(31)16-11-25-27(4)12-16;1-24(2,3)13-30-20-9-8-18(26-21(20)28(5)23(30)32)17-10-16-7-6-15(17)11-29(16)22(31)19-12-27(4)14-25-19;1-23(2,3)12-29-19-8-7-17(26-20(19)27(4)22(29)31)16-9-15-6-5-14(16)11-28(15)21(30)18-10-24-13-25-18;1-22(2,3)12-28-18-8-7-16(23-19(18)26(4)21(28)30)15-9-14-6-5-13(15)10-27(14)20(29)17-11-31-25-24-17;1-21(2,3)12-25-17-8-7-16(22-19(17)23(4)20(25)28)15-9-14-6-5-13(15)10-24(14)18(27)11-26/h5-6,9-13,17-18H,7-8,14-15H2,1-4H3;8-12,15,17H,6-7,13-14H2,1-5H3;8-10,12,14-16H,6-7,11,13H2,1-5H3;7-10,13-15H,5-6,11-12H2,1-4H3,(H,24,25);7-9,11,13-14H,5-6,10,12H2,1-4H3;7-9,13-14,26H,5-6,10-12H2,1-4H3.
What are the key properties of 1-(2,2-dimethylpropyl)-5-[2-(2-hydroxyacetyl)-2-azabicyclo[2.2.2]oct-5-en-5-yl]-3-methylimidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-5-[2-(1H-imidazole-5-carbonyl)-2-azabicyclo[2.2.2]oct-5-en-5-yl]-3-methylimidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-[2-(1-methylimidazole-4-carbonyl)-2-azabicyclo[2.2.2]oct-5-en-5-yl]imidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-[2-(1-methylpyrazole-4-carbonyl)-2-azabicyclo[2.2.2]oct-5-en-5-yl]imidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-[2-(pyridine-3-carbonyl)-2-azabicyclo[2.2.2]oct-5-en-5-yl]imidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-[2-(thiadiazole-4-carbonyl)-2-azabicyclo[2.2.2]oct-5-en-5-yl]imidazo[4,5-b]pyridin-2-one?
1-(2,2-dimethylpropyl)-5-[2-(2-hydroxyacetyl)-2-azabicyclo[2.2.2]oct-5-en-5-yl]-3-methylimidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-5-[2-(1H-imidazole-5-carbonyl)-2-azabicyclo[2.2.2]oct-5-en-5-yl]-3-methylimidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-[2-(1-methylimidazole-4-carbonyl)-2-azabicyclo[2.2.2]oct-5-en-5-yl]imidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-[2-(1-methylpyrazole-4-carbonyl)-2-azabicyclo[2.2.2]oct-5-en-5-yl]imidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-[2-(pyridine-3-carbonyl)-2-azabicyclo[2.2.2]oct-5-en-5-yl]imidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-[2-(thiadiazole-4-carbonyl)-2-azabicyclo[2.2.2]oct-5-en-5-yl]imidazo[4,5-b]pyridin-2-one has a molecular weight of 2544.18 g/mol, XLogP of 16.71, 18 rotatable bonds, 2 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-5-[2-(2-hydroxyacetyl)-2-azabicyclo[2.2.2]oct-5-en-5-yl]-3-methylimidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-5-[2-(1H-imidazole-5-carbonyl)-2-azabicyclo[2.2.2]oct-5-en-5-yl]-3-methylimidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-[2-(1-methylimidazole-4-carbonyl)-2-azabicyclo[2.2.2]oct-5-en-5-yl]imidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-[2-(1-methylpyrazole-4-carbonyl)-2-azabicyclo[2.2.2]oct-5-en-5-yl]imidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-[2-(pyridine-3-carbonyl)-2-azabicyclo[2.2.2]oct-5-en-5-yl]imidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-[2-(thiadiazole-4-carbonyl)-2-azabicyclo[2.2.2]oct-5-en-5-yl]imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 158304617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).