About tert-butyl 2-[[4-(4-amino-3-carbamoylpyrazol-1-yl)phenyl]methoxymethyl]piperidine-1-carboxylate;tert-butyl 2-[[4-[3-carbamoyl-4-[[2-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]-4-pyridinyl]-1,3-oxazole-4-carbonyl]amino]pyrazol-1-yl]phenyl]methoxymethyl]piperidine-1-carboxylate;N-[3-carbamoyl-1-[4-[[1-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethyl]piperidin-2-yl]methoxymethyl]phenyl]pyrazol-4-yl]-2-[2-(3,3,3-trifluoropropyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide;N-[3-carbamoyl-1-[4-(piperidin-2-ylmethoxymethyl)phenyl]pyrazol-4-yl]-2-[2-(3,3,3-trifluoropropyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide;2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethyl methanesulfonate;ethane;2-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]-4-pyridinyl]-1,3-oxazole-4-carboxylic acid;hydrochloride
tert-butyl 2-[[4-(4-amino-3-carbamoylpyrazol-1-yl)phenyl]methoxymethyl]piperidine-1-carboxylate;tert-butyl 2-[[4-[3-carbamoyl-4-[[2-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]-4-pyridinyl]-1,3-oxazole-4-carbonyl]amino]pyrazol-1-yl]phenyl]methoxymethyl]piperidine-1-carboxylate;N-[3-carbamoyl-1-[4-[[1-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethyl]piperidin-2-yl]methoxymethyl]phenyl]pyrazol-4-yl]-2-[2-(3,3,3-trifluoropropyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide;N-[3-carbamoyl-1-[4-(piperidin-2-ylmethoxymethyl)phenyl]pyrazol-4-yl]-2-[2-(3,3,3-trifluoropropyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide;2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethyl methanesulfonate;ethane;2-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]-4-pyridinyl]-1,3-oxazole-4-carboxylic acid;hydrochloride (PubChem CID 157242854) has the molecular formula C173H199ClF12N34O38S
and a molecular weight of 3658.19 g/mol. Its IUPAC name is tert-butyl 2-[[4-(4-amino-3-carbamoylpyrazol-1-yl)phenyl]methoxymethyl]piperidine-1-carboxylate;tert-butyl 2-[[4-[3-carbamoyl-4-[[2-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]-4-pyridinyl]-1,3-oxazole-4-carbonyl]amino]pyrazol-1-yl]phenyl]methoxymethyl]piperidine-1-carboxylate;N-[3-carbamoyl-1-[4-[[1-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethyl]piperidin-2-yl]methoxymethyl]phenyl]pyrazol-4-yl]-2-[2-(3,3,3-trifluoropropyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide;N-[3-carbamoyl-1-[4-(piperidin-2-ylmethoxymethyl)phenyl]pyrazol-4-yl]-2-[2-(3,3,3-trifluoropropyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide;2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethyl methanesulfonate;ethane;2-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]-4-pyridinyl]-1,3-oxazole-4-carboxylic acid;hydrochloride.
Frequently Asked Questions
What is the IUPAC name of tert-butyl 2-[[4-(4-amino-3-carbamoylpyrazol-1-yl)phenyl]methoxymethyl]piperidine-1-carboxylate;tert-butyl 2-[[4-[3-carbamoyl-4-[[2-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]-4-pyridinyl]-1,3-oxazole-4-carbonyl]amino]pyrazol-1-yl]phenyl]methoxymethyl]piperidine-1-carboxylate;N-[3-carbamoyl-1-[4-[[1-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethyl]piperidin-2-yl]methoxymethyl]phenyl]pyrazol-4-yl]-2-[2-(3,3,3-trifluoropropyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide;N-[3-carbamoyl-1-[4-(piperidin-2-ylmethoxymethyl)phenyl]pyrazol-4-yl]-2-[2-(3,3,3-trifluoropropyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide;2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethyl methanesulfonate;ethane;2-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]-4-pyridinyl]-1,3-oxazole-4-carboxylic acid;hydrochloride?
The IUPAC name of tert-butyl 2-[[4-(4-amino-3-carbamoylpyrazol-1-yl)phenyl]methoxymethyl]piperidine-1-carboxylate;tert-butyl 2-[[4-[3-carbamoyl-4-[[2-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]-4-pyridinyl]-1,3-oxazole-4-carbonyl]amino]pyrazol-1-yl]phenyl]methoxymethyl]piperidine-1-carboxylate;N-[3-carbamoyl-1-[4-[[1-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethyl]piperidin-2-yl]methoxymethyl]phenyl]pyrazol-4-yl]-2-[2-(3,3,3-trifluoropropyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide;N-[3-carbamoyl-1-[4-(piperidin-2-ylmethoxymethyl)phenyl]pyrazol-4-yl]-2-[2-(3,3,3-trifluoropropyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide;2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethyl methanesulfonate;ethane;2-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]-4-pyridinyl]-1,3-oxazole-4-carboxylic acid;hydrochloride (CID 157242854) is tert-butyl 2-[[4-(4-amino-3-carbamoylpyrazol-1-yl)phenyl]methoxymethyl]piperidine-1-carboxylate;tert-butyl 2-[[4-[3-carbamoyl-4-[[2-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]-4-pyridinyl]-1,3-oxazole-4-carbonyl]amino]pyrazol-1-yl]phenyl]methoxymethyl]piperidine-1-carboxylate;N-[3-carbamoyl-1-[4-[[1-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethyl]piperidin-2-yl]methoxymethyl]phenyl]pyrazol-4-yl]-2-[2-(3,3,3-trifluoropropyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide;N-[3-carbamoyl-1-[4-(piperidin-2-ylmethoxymethyl)phenyl]pyrazol-4-yl]-2-[2-(3,3,3-trifluoropropyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide;2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethyl methanesulfonate;ethane;2-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]-4-pyridinyl]-1,3-oxazole-4-carboxylic acid;hydrochloride.
What is the SMILES notation for tert-butyl 2-[[4-(4-amino-3-carbamoylpyrazol-1-yl)phenyl]methoxymethyl]piperidine-1-carboxylate;tert-butyl 2-[[4-[3-carbamoyl-4-[[2-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]-4-pyridinyl]-1,3-oxazole-4-carbonyl]amino]pyrazol-1-yl]phenyl]methoxymethyl]piperidine-1-carboxylate;N-[3-carbamoyl-1-[4-[[1-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethyl]piperidin-2-yl]methoxymethyl]phenyl]pyrazol-4-yl]-2-[2-(3,3,3-trifluoropropyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide;N-[3-carbamoyl-1-[4-(piperidin-2-ylmethoxymethyl)phenyl]pyrazol-4-yl]-2-[2-(3,3,3-trifluoropropyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide;2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethyl methanesulfonate;ethane;2-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]-4-pyridinyl]-1,3-oxazole-4-carboxylic acid;hydrochloride?
The canonical SMILES for tert-butyl 2-[[4-(4-amino-3-carbamoylpyrazol-1-yl)phenyl]methoxymethyl]piperidine-1-carboxylate;tert-butyl 2-[[4-[3-carbamoyl-4-[[2-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]-4-pyridinyl]-1,3-oxazole-4-carbonyl]amino]pyrazol-1-yl]phenyl]methoxymethyl]piperidine-1-carboxylate;N-[3-carbamoyl-1-[4-[[1-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethyl]piperidin-2-yl]methoxymethyl]phenyl]pyrazol-4-yl]-2-[2-(3,3,3-trifluoropropyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide;N-[3-carbamoyl-1-[4-(piperidin-2-ylmethoxymethyl)phenyl]pyrazol-4-yl]-2-[2-(3,3,3-trifluoropropyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide;2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethyl methanesulfonate;ethane;2-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]-4-pyridinyl]-1,3-oxazole-4-carboxylic acid;hydrochloride is CC.CC(C)(C)OC(=O)N(CC(F)(F)F)c1cc(-c2nc(C(=O)Nc3cn(-c4ccc(COCC5CCCCN5C(=O)OC(C)(C)C)cc4)nc3C(N)=O)co2)ccn1.CC(C)(C)OC(=O)N(CC(F)(F)F)c1cc(-c2nc(C(=O)O)co2)ccn1.CC(C)(C)OC(=O)N1CCCCC1COCc1ccc(-n2cc(N)c(C(N)=O)n2)cc1.CS(=O)(=O)OCCOCCCc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.Cl.NC(=O)c1nn(-c2ccc(COCC3CCCCN3)cc2)cc1NC(=O)c1coc(-c2ccnc(CCC(F)(F)F)c2)n1.NC(=O)c1nn(-c2ccc(COCC3CCCCN3CCOCCCc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)cc2)cc1NC(=O)c1coc(-c2ccnc(CCC(F)(F)F)c2)n1.
What is the InChIKey of tert-butyl 2-[[4-(4-amino-3-carbamoylpyrazol-1-yl)phenyl]methoxymethyl]piperidine-1-carboxylate;tert-butyl 2-[[4-[3-carbamoyl-4-[[2-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]-4-pyridinyl]-1,3-oxazole-4-carbonyl]amino]pyrazol-1-yl]phenyl]methoxymethyl]piperidine-1-carboxylate;N-[3-carbamoyl-1-[4-[[1-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethyl]piperidin-2-yl]methoxymethyl]phenyl]pyrazol-4-yl]-2-[2-(3,3,3-trifluoropropyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide;N-[3-carbamoyl-1-[4-(piperidin-2-ylmethoxymethyl)phenyl]pyrazol-4-yl]-2-[2-(3,3,3-trifluoropropyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide;2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethyl methanesulfonate;ethane;2-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]-4-pyridinyl]-1,3-oxazole-4-carboxylic acid;hydrochloride?
The InChIKey is OPDRVMYLSJEJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H48F3N9O9.C38H45F3N8O8.C29H30F3N7O4.C22H31N5O4.C19H22N2O8S.C16H16F3N3O5.C2H6.ClH/c48-47(49,50)17-15-31-23-30(16-18-52-31)44-54-36(27-68-44)42(62)53-35-24-58(56-40(35)41(51)61)32-11-9-28(10-12-32)25-67-26-33-7-1-2-19-57(33)20-22-66-21-4-6-29-5-3-8-34-39(29)46(65)59(45(34)64)37-13-14-38(60)55-43(37)63;1-36(2,3)56-34(52)47-16-8-7-9-26(47)20-54-19-23-10-12-25(13-11-23)49-18-27(30(46-49)31(42)50)44-32(51)28-21-55-33(45-28)24-14-15-43-29(17-24)48(22-38(39,40)41)35(53)57-37(4,5)6;30-29(31,32)10-8-20-13-19(9-12-35-20)28-37-24(17-43-28)27(41)36-23-14-39(38-25(23)26(33)40)22-6-4-18(5-7-22)15-42-16-21-3-1-2-11-34-21;1-22(2,3)31-21(29)26-11-5-4-6-17(26)14-30-13-15-7-9-16(10-8-15)27-12-18(23)19(25-27)20(24)28;1-30(26,27)29-11-10-28-9-3-5-12-4-2-6-13-16(12)19(25)21(18(13)24)14-7-8-15(22)20-17(14)23;1-15(2,3)27-14(25)22(8-16(17,18)19)11-6-9(4-5-20-11)12-21-10(7-26-12)13(23)24;1-2;/h3,5,8-12,16,18,23-24,27,33,37H,1-2,4,6-7,13-15,17,19-22,25-26H2,(H2,51,61)(H,53,62)(H,55,60,63);10-15,17-18,21,26H,7-9,16,19-20,22H2,1-6H3,(H2,42,50)(H,44,51);4-7,9,12-14,17,21,34H,1-3,8,10-11,15-16H2,(H2,33,40)(H,36,41);7-10,12,17H,4-6,11,13-14,23H2,1-3H3,(H2,24,28);2,4,6,14H,3,5,7-11H2,1H3,(H,20,22,23);4-7H,8H2,1-3H3,(H,23,24);1-2H3;1H.
What are the key properties of tert-butyl 2-[[4-(4-amino-3-carbamoylpyrazol-1-yl)phenyl]methoxymethyl]piperidine-1-carboxylate;tert-butyl 2-[[4-[3-carbamoyl-4-[[2-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]-4-pyridinyl]-1,3-oxazole-4-carbonyl]amino]pyrazol-1-yl]phenyl]methoxymethyl]piperidine-1-carboxylate;N-[3-carbamoyl-1-[4-[[1-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethyl]piperidin-2-yl]methoxymethyl]phenyl]pyrazol-4-yl]-2-[2-(3,3,3-trifluoropropyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide;N-[3-carbamoyl-1-[4-(piperidin-2-ylmethoxymethyl)phenyl]pyrazol-4-yl]-2-[2-(3,3,3-trifluoropropyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide;2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethyl methanesulfonate;ethane;2-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]-4-pyridinyl]-1,3-oxazole-4-carboxylic acid;hydrochloride?
tert-butyl 2-[[4-(4-amino-3-carbamoylpyrazol-1-yl)phenyl]methoxymethyl]piperidine-1-carboxylate;tert-butyl 2-[[4-[3-carbamoyl-4-[[2-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]-4-pyridinyl]-1,3-oxazole-4-carbonyl]amino]pyrazol-1-yl]phenyl]methoxymethyl]piperidine-1-carboxylate;N-[3-carbamoyl-1-[4-[[1-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethyl]piperidin-2-yl]methoxymethyl]phenyl]pyrazol-4-yl]-2-[2-(3,3,3-trifluoropropyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide;N-[3-carbamoyl-1-[4-(piperidin-2-ylmethoxymethyl)phenyl]pyrazol-4-yl]-2-[2-(3,3,3-trifluoropropyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide;2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethyl methanesulfonate;ethane;2-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]-4-pyridinyl]-1,3-oxazole-4-carboxylic acid;hydrochloride has a molecular weight of 3658.19 g/mol, XLogP of 24.56, 60 rotatable bonds, 12 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[4-(4-amino-3-carbamoylpyrazol-1-yl)phenyl]methoxymethyl]piperidine-1-carboxylate;tert-butyl 2-[[4-[3-carbamoyl-4-[[2-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]-4-pyridinyl]-1,3-oxazole-4-carbonyl]amino]pyrazol-1-yl]phenyl]methoxymethyl]piperidine-1-carboxylate;N-[3-carbamoyl-1-[4-[[1-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethyl]piperidin-2-yl]methoxymethyl]phenyl]pyrazol-4-yl]-2-[2-(3,3,3-trifluoropropyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide;N-[3-carbamoyl-1-[4-(piperidin-2-ylmethoxymethyl)phenyl]pyrazol-4-yl]-2-[2-(3,3,3-trifluoropropyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide;2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethyl methanesulfonate;ethane;2-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]-4-pyridinyl]-1,3-oxazole-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 157242854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).