C161H174N20O11 — CID 157266919
N-ethyl-3-[(2S)-2-[2-(4-methylphenyl)ethylamino]propanoyl]-1H-indole-6-carboxamide;N-ethyl-3-[(2R)-2-[2-(4-methylphenyl)ethylamino]propanoyl]-1H-indole-6-carboxamide;N-ethyl-3-[(2R)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetyl]-1H-indole-6-carboxamide;N-ethyl-3-[(2S)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetyl]-1H-indole-6-carboxamide;N-ethyl-3-[(2S)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetyl]-1H-indole-6-carboxamide;(2R)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-phenylethanone (PubChem CID 157266919) has the molecular formula C161H174N20O11 and a molecular weight of 2565.29 g/mol. Its IUPAC name is N-ethyl-3-[(2S)-2-[2-(4-methylphenyl)ethylamino]propanoyl]-1H-indole-6-carboxamide;N-ethyl-3-[(2R)-2-[2-(4-methylphenyl)ethylamino]propanoyl]-1H-indole-6-carboxamide;N-ethyl-3-[(2R)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetyl]-1H-indole-6-carboxamide;N-ethyl-3-[(2S)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetyl]-1H-indole-6-carboxamide;N-ethyl-3-[(2S)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetyl]-1H-indole-6-carboxamide;(2R)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-phenylethanone.
| Compound Name | N-ethyl-3-[(2S)-2-[2-(4-methylphenyl)ethylamino]propanoyl]-1H-indole-6-carboxamide;N-ethyl-3-[(2R)-2-[2-(4-methylphenyl)ethylamino]propanoyl]-1H-indole-6-carboxamide;N-ethyl-3-[(2R)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetyl]-1H-indole-6-carboxamide;N-ethyl-3-[(2S)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetyl]-1H-indole-6-carboxamide;N-ethyl-3-[(2S)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetyl]-1H-indole-6-carboxamide;(2R)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-phenylethanone |
|---|---|
| PubChem CID | 157266919 |
| Molecular Formula | C161H174N20O11 |
| Molecular Weight | 2565.29 g/mol |
| Exact Mass | 2563.37 |
| IUPAC Name | N-ethyl-3-[(2S)-2-[2-(4-methylphenyl)ethylamino]propanoyl]-1H-indole-6-carboxamide;N-ethyl-3-[(2R)-2-[2-(4-methylphenyl)ethylamino]propanoyl]-1H-indole-6-carboxamide;N-ethyl-3-[(2R)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetyl]-1H-indole-6-carboxamide;N-ethyl-3-[(2S)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetyl]-1H-indole-6-carboxamide;N-ethyl-3-[(2S)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetyl]-1H-indole-6-carboxamide;(2R)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-phenylethanone |
| SMILES | CCNC(=O)c1ccc2c(C(=O)[C@@H](C)NCCc3ccc(C)cc3)c[nH]c2c1.CCNC(=O)c1ccc2c(C(=O)[C@@H](NC[C@@H](C)c3ccc(C)cc3)c3ccccc3)c[nH]c2c1.CCNC(=O)c1ccc2c(C(=O)[C@@H](NC[C@H](C)c3ccc(C)cc3)c3ccccc3)c[nH]c2c1.CCNC(=O)c1ccc2c(C(=O)[C@H](C)NCCc3ccc(C)cc3)c[nH]c2c1.CCNC(=O)c1ccc2c(C(=O)[C@H](NC[C@H](C)c3ccc(C)cc3)c3ccccc3)c[nH]c2c1.Cc1ccc(CCN[C@@H](C(=O)c2n[nH]c3cc(-c4cnn(C)c4)ccc23)c2ccccc2)cc1 |
| InChI | InChI=1S/3C29H31N3O2.C28H27N5O.2C23H27N3O2/c3*1-4-30-29(34)23-14-15-24-25(18-31-26(24)16-23)28(33)27(22-8-6-5-7-9-22)32-17-20(3)21-12-10-19(2)11-13-21;1-19-8-10-20(11-9-19)14-15-29-26(21-6-4-3-5-7-21)28(34)27-24-13-12-22(16-25(24)31-32-27)23-17-30-33(2)18-23;2*1-4-24-23(28)18-9-10-19-20(14-26-21(19)13-18)22(27)16(3)25-12-11-17-7-5-15(2)6-8-17/h3*5-16,18,20,27,31-32H,4,17H2,1-3H3,(H,30,34);3-13,16-18,26,29H,14-15H2,1-2H3,(H,31,32);2*5-10,13-14,16,25-26H,4,11-12H2,1-3H3,(H,24,28)/t2*20-,27+;20-,27-;26-;2*16-/m100110/s1 |
| InChIKey | AYCFUBIMYZWPIK-VOJAELFSSA-N |
| XLogP | 28.92 |
| TPSA | 445.55 Ų |
| H-Bond Donors | 17 |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 51 |
| Heavy Atoms | 192 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2565.29 |
| LogP ≤ 5 | 28.92 |
| H-Bond Donors ≤ 5 | 17 |
| H-Bond Acceptors ≤ 10 | 20 |