Tert-butyl (3R)-3-[[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-[4-(methylcarbamoyl)-1,3-oxazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-cyanoacetic acid;ethyl 2-[4-[[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazole-4-carboxylate;ethyl 1,3-oxazole-4-carboxylate;methanamine;N-methyl-2-[4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazole-4-carboxamide;2-[4-[[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazole-4-carboxylic acid;hydrochloride
C134H197BrClN29O27Si4 — CID 158803351
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPACtert-butyl (3R)-3-[[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-[4-(methylcarbamoyl)-1,3-oxazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-cyanoacetic acid;ethyl 2-[4-[[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazole-4-carboxylate;ethyl 1,3-oxazole-4-carboxylate;methanamine;N-methyl-2-[4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazole-4-carboxamide;2-[4-[[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazole-4-carboxylic acid;hydrochloride
SMILESCC(C)(C)OC(=O)N1CCC[C@@H](Nc2c(-c3nc(C(=O)O)co3)cnc3c2ccn3COCC[Si](C)(C)C)C1.CC(C)(C)OC(=O)N1CCC[C@@H](Nc2c(Br)cnc3c2ccn3COCC[Si](C)(C)C)C1.CCOC(=O)c1coc(-c2cnc3c(ccn3COCC[Si](C)(C)C)c2N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1.CCOC(=O)c1cocn1.CN.CNC(=O)c1coc(-c2cnc3[nH]ccc3c2N[C@@H]2CCCNC2)n1.CNC(=O)c1coc(-c2cnc3c(ccn3COCC[Si](C)(C)C)c2N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1.Cl.N#CCC(=O)O
InChIInChI=1S/C29H43N5O6Si.C28H42N6O5Si.C27H39N5O6Si.C23H37BrN4O3Si.C17H20N6O2.C6H7NO3.C3H3NO2.CH5N.ClH/c1-8-38-27(35)23-18-39-26(32-23)22-16-30-25-21(11-13-34(25)19-37-14-15-41(5,6)7)24(22)31-20-10-9-12-33(17-20)28(36)40-29(2,3)4;1-28(2,3)39-27(36)33-11-8-9-19(16-33)31-23-20-10-12-34(18-37-13-14-40(5,6)7)24(20)30-15-21(23)26-32-22(17-38-26)25(35)29-4;1-27(2,3)38-26(35)31-10-7-8-18(15-31)29-22-19-9-11-32(17-36-12-13-39(4,5)6)23(19)28-14-20(22)24-30-21(16-37-24)25(33)34;1-23(2,3)31-22(29)27-10-7-8-17(15-27)26-20-18-9-11-28(21(18)25-14-19(20)24)16-30-12-13-32(4,5)6;1-18-16(24)13-9-25-17(23-13)12-8-21-15-11(4-6-20-15)14(12)22-10-3-2-5-19-7-10;1-2-10-6(8)5-3-9-4-7-5;4-2-1-3(5)6;1-2;/h11,13,16,18,20H,8-10,12,14-15,17,19H2,1-7H3,(H,30,31);10,12,15,17,19H,8-9,11,13-14,16,18H2,1-7H3,(H,29,35)(H,30,31);9,11,14,16,18H,7-8,10,12-13,15,17H2,1-6H3,(H,28,29)(H,33,34);9,11,14,17H,7-8,10,12-13,15-16H2,1-6H3,(H,25,26);4,6,8-10,19H,2-3,5,7H2,1H3,(H,18,24)(H2,20,21,22);3-4H,2H2,1H3;1H2,(H,5,6);2H2,1H3;1H/t20-;19-;18-;17-;10-;;;;/m11111..../s1
InChIKeyVZDCIHACASVMIR-LZBVPBIWSA-N
MW2873.93 g/mol
LogP25.18
Rot. Bonds42
About Tert-butyl (3R)-3-[[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-[4-(methylcarbamoyl)-1,3-oxazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-cyanoacetic acid;ethyl 2-[4-[[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazole-4-carboxylate;ethyl 1,3-oxazole-4-carboxylate;methanamine;N-methyl-2-[4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazole-4-carboxamide;2-[4-[[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazole-4-carboxylic acid;hydrochloride
Tert-butyl (3R)-3-[[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-[4-(methylcarbamoyl)-1,3-oxazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-cyanoacetic acid;ethyl 2-[4-[[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazole-4-carboxylate;ethyl 1,3-oxazole-4-carboxylate;methanamine;N-methyl-2-[4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazole-4-carboxamide;2-[4-[[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazole-4-carboxylic acid;hydrochloride (PubChem CID 158803351) has the molecular formula C134H197BrClN29O27Si4 and a molecular weight of 2873.93 g/mol. Its IUPAC name is tert-butyl (3R)-3-[[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-[4-(methylcarbamoyl)-1,3-oxazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-cyanoacetic acid;ethyl 2-[4-[[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazole-4-carboxylate;ethyl 1,3-oxazole-4-carboxylate;methanamine;N-methyl-2-[4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazole-4-carboxamide;2-[4-[[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazole-4-carboxylic acid;hydrochloride.
Molecular Properties
| Compound Name | Tert-butyl (3R)-3-[[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-[4-(methylcarbamoyl)-1,3-oxazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-cyanoacetic acid;ethyl 2-[4-[[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazole-4-carboxylate;ethyl 1,3-oxazole-4-carboxylate;methanamine;N-methyl-2-[4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazole-4-carboxamide;2-[4-[[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazole-4-carboxylic acid;hydrochloride |
|---|---|
| PubChem CID | 158803351 |
| Molecular Formula | C134H197BrClN29O27Si4 |
| Molecular Weight | 2873.93 g/mol |
| Exact Mass | 2870.29 |
| IUPAC Name | tert-butyl (3R)-3-[[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-[4-(methylcarbamoyl)-1,3-oxazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-cyanoacetic acid;ethyl 2-[4-[[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazole-4-carboxylate;ethyl 1,3-oxazole-4-carboxylate;methanamine;N-methyl-2-[4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazole-4-carboxamide;2-[4-[[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazole-4-carboxylic acid;hydrochloride |
| SMILES | CC(C)(C)OC(=O)N1CCC[C@@H](Nc2c(-c3nc(C(=O)O)co3)cnc3c2ccn3COCC[Si](C)(C)C)C1.CC(C)(C)OC(=O)N1CCC[C@@H](Nc2c(Br)cnc3c2ccn3COCC[Si](C)(C)C)C1.CCOC(=O)c1coc(-c2cnc3c(ccn3COCC[Si](C)(C)C)c2N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1.CCOC(=O)c1cocn1.CN.CNC(=O)c1coc(-c2cnc3[nH]ccc3c2N[C@@H]2CCCNC2)n1.CNC(=O)c1coc(-c2cnc3c(ccn3COCC[Si](C)(C)C)c2N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1.Cl.N#CCC(=O)O |
| InChI | InChI=1S/C29H43N5O6Si.C28H42N6O5Si.C27H39N5O6Si.C23H37BrN4O3Si.C17H20N6O2.C6H7NO3.C3H3NO2.CH5N.ClH/c1-8-38-27(35)23-18-39-26(32-23)22-16-30-25-21(11-13-34(25)19-37-14-15-41(5,6)7)24(22)31-20-10-9-12-33(17-20)28(36)40-29(2,3)4;1-28(2,3)39-27(36)33-11-8-9-19(16-33)31-23-20-10-12-34(18-37-13-14-40(5,6)7)24(20)30-15-21(23)26-32-22(17-38-26)25(35)29-4;1-27(2,3)38-26(35)31-10-7-8-18(15-31)29-22-19-9-11-32(17-36-12-13-39(4,5)6)23(19)28-14-20(22)24-30-21(16-37-24)25(33)34;1-23(2,3)31-22(29)27-10-7-8-17(15-27)26-20-18-9-11-28(21(18)25-14-19(20)24)16-30-12-13-32(4,5)6;1-18-16(24)13-9-25-17(23-13)12-8-21-15-11(4-6-20-15)14(12)22-10-3-2-5-19-7-10;1-2-10-6(8)5-3-9-4-7-5;4-2-1-3(5)6;1-2;/h11,13,16,18,20H,8-10,12,14-15,17,19H2,1-7H3,(H,30,31);10,12,15,17,19H,8-9,11,13-14,16,18H2,1-7H3,(H,29,35)(H,30,31);9,11,14,16,18H,7-8,10,12-13,15,17H2,1-6H3,(H,28,29)(H,33,34);9,11,14,17H,7-8,10,12-13,15-16H2,1-6H3,(H,25,26);4,6,8-10,19H,2-3,5,7H2,1H3,(H,18,24)(H2,20,21,22);3-4H,2H2,1H3;1H2,(H,5,6);2H2,1H3;1H/t20-;19-;18-;17-;10-;;;;/m11111..../s1 |
| InChIKey | VZDCIHACASVMIR-LZBVPBIWSA-N |
| XLogP | 25.18 |
| TPSA | 692.58 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 47 |
| Rotatable Bonds | 42 |
| Heavy Atoms | 196 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2873.93 |
| LogP ≤ 5 | 25.18 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 47 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
What is the IUPAC name of Tert-butyl (3R)-3-[[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-[4-(methylcarbamoyl)-1,3-oxazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-cyanoacetic acid;ethyl 2-[4-[[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazole-4-carboxylate;ethyl 1,3-oxazole-4-carboxylate;methanamine;N-methyl-2-[4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazole-4-carboxamide;2-[4-[[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazole-4-carboxylic acid;hydrochloride?
The IUPAC name of Tert-butyl (3R)-3-[[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-[4-(methylcarbamoyl)-1,3-oxazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-cyanoacetic acid;ethyl 2-[4-[[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazole-4-carboxylate;ethyl 1,3-oxazole-4-carboxylate;methanamine;N-methyl-2-[4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazole-4-carboxamide;2-[4-[[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazole-4-carboxylic acid;hydrochloride (CID 158803351) is tert-butyl (3R)-3-[[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-[4-(methylcarbamoyl)-1,3-oxazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-cyanoacetic acid;ethyl 2-[4-[[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazole-4-carboxylate;ethyl 1,3-oxazole-4-carboxylate;methanamine;N-methyl-2-[4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazole-4-carboxamide;2-[4-[[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-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 Tert-butyl (3R)-3-[[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-[4-(methylcarbamoyl)-1,3-oxazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-cyanoacetic acid;ethyl 2-[4-[[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazole-4-carboxylate;ethyl 1,3-oxazole-4-carboxylate;methanamine;N-methyl-2-[4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazole-4-carboxamide;2-[4-[[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazole-4-carboxylic acid;hydrochloride?
The canonical SMILES for Tert-butyl (3R)-3-[[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-[4-(methylcarbamoyl)-1,3-oxazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-cyanoacetic acid;ethyl 2-[4-[[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazole-4-carboxylate;ethyl 1,3-oxazole-4-carboxylate;methanamine;N-methyl-2-[4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazole-4-carboxamide;2-[4-[[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazole-4-carboxylic acid;hydrochloride is CC(C)(C)OC(=O)N1CCC[C@@H](Nc2c(-c3nc(C(=O)O)co3)cnc3c2ccn3COCC[Si](C)(C)C)C1.CC(C)(C)OC(=O)N1CCC[C@@H](Nc2c(Br)cnc3c2ccn3COCC[Si](C)(C)C)C1.CCOC(=O)c1coc(-c2cnc3c(ccn3COCC[Si](C)(C)C)c2N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1.CCOC(=O)c1cocn1.CN.CNC(=O)c1coc(-c2cnc3[nH]ccc3c2N[C@@H]2CCCNC2)n1.CNC(=O)c1coc(-c2cnc3c(ccn3COCC[Si](C)(C)C)c2N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1.Cl.N#CCC(=O)O.
What is the InChIKey of Tert-butyl (3R)-3-[[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-[4-(methylcarbamoyl)-1,3-oxazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-cyanoacetic acid;ethyl 2-[4-[[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazole-4-carboxylate;ethyl 1,3-oxazole-4-carboxylate;methanamine;N-methyl-2-[4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazole-4-carboxamide;2-[4-[[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazole-4-carboxylic acid;hydrochloride?
The InChIKey is VZDCIHACASVMIR-LZBVPBIWSA-N. The full InChI is InChI=1S/C29H43N5O6Si.C28H42N6O5Si.C27H39N5O6Si.C23H37BrN4O3Si.C17H20N6O2.C6H7NO3.C3H3NO2.CH5N.ClH/c1-8-38-27(35)23-18-39-26(32-23)22-16-30-25-21(11-13-34(25)19-37-14-15-41(5,6)7)24(22)31-20-10-9-12-33(17-20)28(36)40-29(2,3)4;1-28(2,3)39-27(36)33-11-8-9-19(16-33)31-23-20-10-12-34(18-37-13-14-40(5,6)7)24(20)30-15-21(23)26-32-22(17-38-26)25(35)29-4;1-27(2,3)38-26(35)31-10-7-8-18(15-31)29-22-19-9-11-32(17-36-12-13-39(4,5)6)23(19)28-14-20(22)24-30-21(16-37-24)25(33)34;1-23(2,3)31-22(29)27-10-7-8-17(15-27)26-20-18-9-11-28(21(18)25-14-19(20)24)16-30-12-13-32(4,5)6;1-18-16(24)13-9-25-17(23-13)12-8-21-15-11(4-6-20-15)14(12)22-10-3-2-5-19-7-10;1-2-10-6(8)5-3-9-4-7-5;4-2-1-3(5)6;1-2;/h11,13,16,18,20H,8-10,12,14-15,17,19H2,1-7H3,(H,30,31);10,12,15,17,19H,8-9,11,13-14,16,18H2,1-7H3,(H,29,35)(H,30,31);9,11,14,16,18H,7-8,10,12-13,15,17H2,1-6H3,(H,28,29)(H,33,34);9,11,14,17H,7-8,10,12-13,15-16H2,1-6H3,(H,25,26);4,6,8-10,19H,2-3,5,7H2,1H3,(H,18,24)(H2,20,21,22);3-4H,2H2,1H3;1H2,(H,5,6);2H2,1H3;1H/t20-;19-;18-;17-;10-;;;;/m11111..../s1.
What are the key properties of Tert-butyl (3R)-3-[[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-[4-(methylcarbamoyl)-1,3-oxazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-cyanoacetic acid;ethyl 2-[4-[[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazole-4-carboxylate;ethyl 1,3-oxazole-4-carboxylate;methanamine;N-methyl-2-[4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazole-4-carboxamide;2-[4-[[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazole-4-carboxylic acid;hydrochloride?
Tert-butyl (3R)-3-[[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-[4-(methylcarbamoyl)-1,3-oxazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-cyanoacetic acid;ethyl 2-[4-[[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazole-4-carboxylate;ethyl 1,3-oxazole-4-carboxylate;methanamine;N-methyl-2-[4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazole-4-carboxamide;2-[4-[[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-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 2873.93 g/mol, XLogP of 25.18, 42 rotatable bonds, 12 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for Tert-butyl (3R)-3-[[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-[4-(methylcarbamoyl)-1,3-oxazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-cyanoacetic acid;ethyl 2-[4-[[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazole-4-carboxylate;ethyl 1,3-oxazole-4-carboxylate;methanamine;N-methyl-2-[4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazole-4-carboxamide;2-[4-[[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-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 158803351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.
Sources
- PubChem CID 158803351 — identifiers, structure, computed properties (public domain)
How this page is built: methodology · editorial policy & corrections.
For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.