About benzyl (2S,5R)-5-[[5-(4-acetyl-1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]-2-methylpiperidine-1-carboxylate;benzyl (2S,5R)-5-amino-2-methylpiperidine-1-carboxylate;benzyl (2S,5R)-2-methyl-5-[[5-[4-(methylcarbamoyl)-1,3-oxazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;1-[2-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazol-4-yl]ethanone;2-cyanoacetic acid;methanamine;N-methyl-2-[4-[[(3R,6S)-6-methylpiperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazole-4-carboxamide;2-[4-[[(3R,6S)-6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazole-4-carboxylic acid;hydrochloride
benzyl (2S,5R)-5-[[5-(4-acetyl-1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]-2-methylpiperidine-1-carboxylate;benzyl (2S,5R)-5-amino-2-methylpiperidine-1-carboxylate;benzyl (2S,5R)-2-methyl-5-[[5-[4-(methylcarbamoyl)-1,3-oxazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;1-[2-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazol-4-yl]ethanone;2-cyanoacetic acid;methanamine;N-methyl-2-[4-[[(3R,6S)-6-methylpiperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazole-4-carboxamide;2-[4-[[(3R,6S)-6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazole-4-carboxylic acid;hydrochloride (PubChem CID 158455916) has the molecular formula C149H195Cl2N29O25Si4
and a molecular weight of 2975.63 g/mol. Its IUPAC name is benzyl (2S,5R)-5-[[5-(4-acetyl-1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]-2-methylpiperidine-1-carboxylate;benzyl (2S,5R)-5-amino-2-methylpiperidine-1-carboxylate;benzyl (2S,5R)-2-methyl-5-[[5-[4-(methylcarbamoyl)-1,3-oxazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;1-[2-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazol-4-yl]ethanone;2-cyanoacetic acid;methanamine;N-methyl-2-[4-[[(3R,6S)-6-methylpiperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazole-4-carboxamide;2-[4-[[(3R,6S)-6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazole-4-carboxylic acid;hydrochloride.
Frequently Asked Questions
What is the IUPAC name of benzyl (2S,5R)-5-[[5-(4-acetyl-1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]-2-methylpiperidine-1-carboxylate;benzyl (2S,5R)-5-amino-2-methylpiperidine-1-carboxylate;benzyl (2S,5R)-2-methyl-5-[[5-[4-(methylcarbamoyl)-1,3-oxazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;1-[2-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazol-4-yl]ethanone;2-cyanoacetic acid;methanamine;N-methyl-2-[4-[[(3R,6S)-6-methylpiperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazole-4-carboxamide;2-[4-[[(3R,6S)-6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazole-4-carboxylic acid;hydrochloride?
The IUPAC name of benzyl (2S,5R)-5-[[5-(4-acetyl-1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]-2-methylpiperidine-1-carboxylate;benzyl (2S,5R)-5-amino-2-methylpiperidine-1-carboxylate;benzyl (2S,5R)-2-methyl-5-[[5-[4-(methylcarbamoyl)-1,3-oxazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;1-[2-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazol-4-yl]ethanone;2-cyanoacetic acid;methanamine;N-methyl-2-[4-[[(3R,6S)-6-methylpiperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazole-4-carboxamide;2-[4-[[(3R,6S)-6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazole-4-carboxylic acid;hydrochloride (CID 158455916) is benzyl (2S,5R)-5-[[5-(4-acetyl-1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]-2-methylpiperidine-1-carboxylate;benzyl (2S,5R)-5-amino-2-methylpiperidine-1-carboxylate;benzyl (2S,5R)-2-methyl-5-[[5-[4-(methylcarbamoyl)-1,3-oxazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;1-[2-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazol-4-yl]ethanone;2-cyanoacetic acid;methanamine;N-methyl-2-[4-[[(3R,6S)-6-methylpiperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazole-4-carboxamide;2-[4-[[(3R,6S)-6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazole-4-carboxylic acid;hydrochloride.
What is the SMILES notation for benzyl (2S,5R)-5-[[5-(4-acetyl-1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]-2-methylpiperidine-1-carboxylate;benzyl (2S,5R)-5-amino-2-methylpiperidine-1-carboxylate;benzyl (2S,5R)-2-methyl-5-[[5-[4-(methylcarbamoyl)-1,3-oxazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;1-[2-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazol-4-yl]ethanone;2-cyanoacetic acid;methanamine;N-methyl-2-[4-[[(3R,6S)-6-methylpiperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazole-4-carboxamide;2-[4-[[(3R,6S)-6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazole-4-carboxylic acid;hydrochloride?
The canonical SMILES for benzyl (2S,5R)-5-[[5-(4-acetyl-1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]-2-methylpiperidine-1-carboxylate;benzyl (2S,5R)-5-amino-2-methylpiperidine-1-carboxylate;benzyl (2S,5R)-2-methyl-5-[[5-[4-(methylcarbamoyl)-1,3-oxazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;1-[2-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazol-4-yl]ethanone;2-cyanoacetic acid;methanamine;N-methyl-2-[4-[[(3R,6S)-6-methylpiperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazole-4-carboxamide;2-[4-[[(3R,6S)-6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazole-4-carboxylic acid;hydrochloride is CC(=O)c1coc(-c2cnc3c(ccn3COCC[Si](C)(C)C)c2Cl)n1.CC(=O)c1coc(-c2cnc3c(ccn3COCC[Si](C)(C)C)c2N[C@@H]2CC[C@H](C)N(C(=O)OCc3ccccc3)C2)n1.CN.CNC(=O)c1coc(-c2cnc3[nH]ccc3c2N[C@@H]2CC[C@H](C)NC2)n1.CNC(=O)c1coc(-c2cnc3c(ccn3COCC[Si](C)(C)C)c2N[C@@H]2CC[C@H](C)N(C(=O)OCc3ccccc3)C2)n1.C[C@H]1CC[C@@H](N)CN1C(=O)OCc1ccccc1.C[C@H]1CC[C@@H](Nc2c(-c3nc(C(=O)O)co3)cnc3c2ccn3COCC[Si](C)(C)C)CN1C(=O)OCc1ccccc1.Cl.N#CCC(=O)O.
What is the InChIKey of benzyl (2S,5R)-5-[[5-(4-acetyl-1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]-2-methylpiperidine-1-carboxylate;benzyl (2S,5R)-5-amino-2-methylpiperidine-1-carboxylate;benzyl (2S,5R)-2-methyl-5-[[5-[4-(methylcarbamoyl)-1,3-oxazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;1-[2-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazol-4-yl]ethanone;2-cyanoacetic acid;methanamine;N-methyl-2-[4-[[(3R,6S)-6-methylpiperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazole-4-carboxamide;2-[4-[[(3R,6S)-6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazole-4-carboxylic acid;hydrochloride?
The InChIKey is FVQCKBKYWXVFJT-ZGXRCMNISA-N. The full InChI is InChI=1S/C32H42N6O5Si.C32H41N5O5Si.C31H39N5O6Si.C18H22ClN3O3Si.C18H22N6O2.C14H20N2O2.C3H3NO2.CH5N.ClH/c1-22-11-12-24(18-38(22)32(40)43-19-23-9-7-6-8-10-23)35-28-25-13-14-37(21-41-15-16-44(3,4)5)29(25)34-17-26(28)31-36-27(20-42-31)30(39)33-2;1-22-11-12-25(18-37(22)32(39)42-19-24-9-7-6-8-10-24)34-29-26-13-14-36(21-40-15-16-43(3,4)5)30(26)33-17-27(29)31-35-28(20-41-31)23(2)38;1-21-10-11-23(17-36(21)31(39)42-18-22-8-6-5-7-9-22)33-27-24-12-13-35(20-40-14-15-43(2,3)4)28(24)32-16-25(27)29-34-26(19-41-29)30(37)38;1-12(23)15-10-25-18(21-15)14-9-20-17-13(16(14)19)5-6-22(17)11-24-7-8-26(2,3)4;1-10-3-4-11(7-21-10)23-15-12-5-6-20-16(12)22-8-13(15)18-24-14(9-26-18)17(25)19-2;1-11-7-8-13(15)9-16(11)14(17)18-10-12-5-3-2-4-6-12;4-2-1-3(5)6;1-2;/h6-10,13-14,17,20,22,24H,11-12,15-16,18-19,21H2,1-5H3,(H,33,39)(H,34,35);6-10,13-14,17,20,22,25H,11-12,15-16,18-19,21H2,1-5H3,(H,33,34);5-9,12-13,16,19,21,23H,10-11,14-15,17-18,20H2,1-4H3,(H,32,33)(H,37,38);5-6,9-10H,7-8,11H2,1-4H3;5-6,8-11,21H,3-4,7H2,1-2H3,(H,19,25)(H2,20,22,23);2-6,11,13H,7-10,15H2,1H3;1H2,(H,5,6);2H2,1H3;1H/t22-,24+;22-,25+;21-,23+;;10-,11+;11-,13+;;;/m000.00.../s1.
What are the key properties of benzyl (2S,5R)-5-[[5-(4-acetyl-1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]-2-methylpiperidine-1-carboxylate;benzyl (2S,5R)-5-amino-2-methylpiperidine-1-carboxylate;benzyl (2S,5R)-2-methyl-5-[[5-[4-(methylcarbamoyl)-1,3-oxazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;1-[2-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazol-4-yl]ethanone;2-cyanoacetic acid;methanamine;N-methyl-2-[4-[[(3R,6S)-6-methylpiperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazole-4-carboxamide;2-[4-[[(3R,6S)-6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazole-4-carboxylic acid;hydrochloride?
benzyl (2S,5R)-5-[[5-(4-acetyl-1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]-2-methylpiperidine-1-carboxylate;benzyl (2S,5R)-5-amino-2-methylpiperidine-1-carboxylate;benzyl (2S,5R)-2-methyl-5-[[5-[4-(methylcarbamoyl)-1,3-oxazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;1-[2-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazol-4-yl]ethanone;2-cyanoacetic acid;methanamine;N-methyl-2-[4-[[(3R,6S)-6-methylpiperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazole-4-carboxamide;2-[4-[[(3R,6S)-6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazole-4-carboxylic acid;hydrochloride has a molecular weight of 2975.63 g/mol, XLogP of 28.18, 47 rotatable bonds, 12 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S,5R)-5-[[5-(4-acetyl-1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]-2-methylpiperidine-1-carboxylate;benzyl (2S,5R)-5-amino-2-methylpiperidine-1-carboxylate;benzyl (2S,5R)-2-methyl-5-[[5-[4-(methylcarbamoyl)-1,3-oxazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;1-[2-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazol-4-yl]ethanone;2-cyanoacetic acid;methanamine;N-methyl-2-[4-[[(3R,6S)-6-methylpiperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazole-4-carboxamide;2-[4-[[(3R,6S)-6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazole-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 158455916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).