C162H174N30O8 — CID 161116039
(2S)-2-(4-methoxyphenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-(4-methoxyphenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-N-[5-(3-methylpyrazol-1-yl)-2-pyridinyl]-2-phenylacetamide;(2S)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-N-[5-(4-methylpyrazol-1-yl)-2-pyridinyl]-2-phenylacetamide;(2S)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-N-[5-(4-methylpyrazol-1-yl)-2-pyridinyl]-2-phenylacetamide;(2R)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-N-[5-(4-methylpyrazol-1-yl)-2-pyridinyl]-2-phenylacetamide (PubChem CID 161116039) has the molecular formula C162H174N30O8 and a molecular weight of 2669.38 g/mol. Its IUPAC name is (2S)-2-(4-methoxyphenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-(4-methoxyphenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-N-[5-(3-methylpyrazol-1-yl)-2-pyridinyl]-2-phenylacetamide;(2S)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-N-[5-(4-methylpyrazol-1-yl)-2-pyridinyl]-2-phenylacetamide;(2S)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-N-[5-(4-methylpyrazol-1-yl)-2-pyridinyl]-2-phenylacetamide;(2R)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-N-[5-(4-methylpyrazol-1-yl)-2-pyridinyl]-2-phenylacetamide.
| Compound Name | (2S)-2-(4-methoxyphenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-(4-methoxyphenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-N-[5-(3-methylpyrazol-1-yl)-2-pyridinyl]-2-phenylacetamide;(2S)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-N-[5-(4-methylpyrazol-1-yl)-2-pyridinyl]-2-phenylacetamide;(2S)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-N-[5-(4-methylpyrazol-1-yl)-2-pyridinyl]-2-phenylacetamide;(2R)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-N-[5-(4-methylpyrazol-1-yl)-2-pyridinyl]-2-phenylacetamide |
|---|---|
| PubChem CID | 161116039 |
| Molecular Formula | C162H174N30O8 |
| Molecular Weight | 2669.38 g/mol |
| Exact Mass | 2667.41 |
| IUPAC Name | (2S)-2-(4-methoxyphenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-(4-methoxyphenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-N-[5-(3-methylpyrazol-1-yl)-2-pyridinyl]-2-phenylacetamide;(2S)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-N-[5-(4-methylpyrazol-1-yl)-2-pyridinyl]-2-phenylacetamide;(2S)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-N-[5-(4-methylpyrazol-1-yl)-2-pyridinyl]-2-phenylacetamide;(2R)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-N-[5-(4-methylpyrazol-1-yl)-2-pyridinyl]-2-phenylacetamide |
| SMILES | COc1ccc([C@@H](NCCc2ccc(C)cc2)C(=O)Nc2ccc(-c3cnn(C)c3)cn2)cc1.COc1ccc([C@H](NCCc2ccc(C)cc2)C(=O)Nc2ccc(-c3cnn(C)c3)cn2)cc1.Cc1ccc([C@@H](C)CN[C@@H](C(=O)Nc2ccc(-n3cc(C)cn3)cn2)c2ccccc2)cc1.Cc1ccc([C@@H](C)CN[C@H](C(=O)Nc2ccc(-n3cc(C)cn3)cn2)c2ccccc2)cc1.Cc1ccc([C@H](C)CN[C@@H](C(=O)Nc2ccc(-n3ccc(C)n3)cn2)c2ccccc2)cc1.Cc1ccc([C@H](C)CN[C@H](C(=O)Nc2ccc(-n3cc(C)cn3)cn2)c2ccccc2)cc1 |
| InChI | InChI=1S/2C27H29N5O2.4C27H29N5O/c2*1-19-4-6-20(7-5-19)14-15-28-26(21-8-11-24(34-3)12-9-21)27(33)31-25-13-10-22(16-29-25)23-17-30-32(2)18-23;3*1-19-9-11-22(12-10-19)21(3)16-29-26(23-7-5-4-6-8-23)27(33)31-25-14-13-24(17-28-25)32-18-20(2)15-30-32;1-19-9-11-22(12-10-19)20(2)17-29-26(23-7-5-4-6-8-23)27(33)30-25-14-13-24(18-28-25)32-16-15-21(3)31-32/h2*4-13,16-18,26,28H,14-15H2,1-3H3,(H,29,31,33);3*4-15,17-18,21,26,29H,16H2,1-3H3,(H,28,31,33);4-16,18,20,26,29H,17H2,1-3H3,(H,28,30,33)/t2*26-;2*21-,26+;21-,26-;20-,26-/m101001/s1 |
| InChIKey | UKIDRFZBMNDIFS-YZOQVZOUSA-N |
| XLogP | 28.45 |
| TPSA | 449.50 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 32 |
| Rotatable Bonds | 50 |
| Heavy Atoms | 200 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2669.38 |
| LogP ≤ 5 | 28.45 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 32 |