C115H147N15O20 — CID 163863335
3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;tert-butyl 6-[3-[ethyl(oxan-4-yl)amino]-5-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-4-methylphenyl]-2-oxospiro[1H-indole-3,4'-piperidine]-1'-carboxylate;3-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(2-oxospiro[1H-indole-3,4'-piperidine]-6-yl)benzamide;3-[ethyl(oxan-4-yl)amino]-2-methyl-5-[1'-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxospiro[1H-indole-3,4'-piperidine]-6-yl]benzoic acid (PubChem CID 163863335) has the molecular formula C115H147N15O20 and a molecular weight of 2059.53 g/mol. Its IUPAC name is 3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;tert-butyl 6-[3-[ethyl(oxan-4-yl)amino]-5-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-4-methylphenyl]-2-oxospiro[1H-indole-3,4'-piperidine]-1'-carboxylate;3-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(2-oxospiro[1H-indole-3,4'-piperidine]-6-yl)benzamide;3-[ethyl(oxan-4-yl)amino]-2-methyl-5-[1'-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxospiro[1H-indole-3,4'-piperidine]-6-yl]benzoic acid.
| Compound Name | 3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;tert-butyl 6-[3-[ethyl(oxan-4-yl)amino]-5-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-4-methylphenyl]-2-oxospiro[1H-indole-3,4'-piperidine]-1'-carboxylate;3-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(2-oxospiro[1H-indole-3,4'-piperidine]-6-yl)benzamide;3-[ethyl(oxan-4-yl)amino]-2-methyl-5-[1'-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxospiro[1H-indole-3,4'-piperidine]-6-yl]benzoic acid |
|---|---|
| PubChem CID | 163863335 |
| Molecular Formula | C115H147N15O20 |
| Molecular Weight | 2059.53 g/mol |
| Exact Mass | 2058.09 |
| IUPAC Name | 3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;tert-butyl 6-[3-[ethyl(oxan-4-yl)amino]-5-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-4-methylphenyl]-2-oxospiro[1H-indole-3,4'-piperidine]-1'-carboxylate;3-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(2-oxospiro[1H-indole-3,4'-piperidine]-6-yl)benzamide;3-[ethyl(oxan-4-yl)amino]-2-methyl-5-[1'-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxospiro[1H-indole-3,4'-piperidine]-6-yl]benzoic acid |
| SMILES | CCN(c1cc(-c2ccc3c(c2)NC(=O)C32CCN(C(=O)OC(C)(C)C)CC2)cc(C(=O)NCc2c(OC)cc(C)[nH]c2=O)c1C)C1CCOCC1.CCN(c1cc(-c2ccc3c(c2)NC(=O)C32CCN(C(=O)OC(C)(C)C)CC2)cc(C(=O)O)c1C)C1CCOCC1.CCN(c1cc(-c2ccc3c(c2)NC(=O)C32CCNCC2)cc(C(=O)NCc2c(OC)cc(C)[nH]c2=O)c1C)C1CCOCC1.COc1cc(C)[nH]c(=O)c1CN |
| InChI | InChI=1S/C40H51N5O7.C35H43N5O5.C32H41N3O6.C8H12N2O2/c1-8-45(28-11-17-51-18-12-28)33-22-27(20-29(25(33)3)35(46)41-23-30-34(50-7)19-24(2)42-36(30)47)26-9-10-31-32(21-26)43-37(48)40(31)13-15-44(16-14-40)38(49)52-39(4,5)6;1-5-40(25-8-14-45-15-9-25)30-19-24(23-6-7-28-29(18-23)39-34(43)35(28)10-12-36-13-11-35)17-26(22(30)3)32(41)37-20-27-31(44-4)16-21(2)38-33(27)42;1-6-35(23-9-15-40-16-10-23)27-19-22(17-24(20(27)2)28(36)37)21-7-8-25-26(18-21)33-29(38)32(25)11-13-34(14-12-32)30(39)41-31(3,4)5;1-5-3-7(12-2)6(4-9)8(11)10-5/h9-10,19-22,28H,8,11-18,23H2,1-7H3,(H,41,46)(H,42,47)(H,43,48);6-7,16-19,25,36H,5,8-15,20H2,1-4H3,(H,37,41)(H,38,42)(H,39,43);7-8,17-19,23H,6,9-16H2,1-5H3,(H,33,38)(H,36,37);3H,4,9H2,1-2H3,(H,10,11) |
| InChIKey | PEMDGYLMODDAOT-UHFFFAOYSA-N |
| XLogP | 15.74 |
| TPSA | 443.61 Ų |
| H-Bond Donors | 11 |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 150 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2059.53 |
| LogP ≤ 5 | 15.74 |
| H-Bond Donors ≤ 5 | 11 |
| H-Bond Acceptors ≤ 10 | 24 |