C99H90F3N19O7 — CID 159304313
2-cyclopentyl-1-[6-(1H-indol-5-yl)-2-pyridinyl]ethanone;(2,6-dimethylmorpholin-4-yl)-[6-(1H-indol-5-yl)-2-pyridinyl]methanone;[6-(1H-indol-5-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone;1-[6-(1H-indol-5-yl)-2-pyridinyl]-2-(2H-tetrazol-5-yl)ethanone;3-[[2-(1H-indol-5-yl)-6-[2-[4-(trifluoromethyl)phenyl]acetyl]pyrimidin-4-yl]amino]pyrrolidin-2-one (PubChem CID 159304313) has the molecular formula C99H90F3N19O7 and a molecular weight of 1714.93 g/mol. Its IUPAC name is 2-cyclopentyl-1-[6-(1H-indol-5-yl)-2-pyridinyl]ethanone;(2,6-dimethylmorpholin-4-yl)-[6-(1H-indol-5-yl)-2-pyridinyl]methanone;[6-(1H-indol-5-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone;1-[6-(1H-indol-5-yl)-2-pyridinyl]-2-(2H-tetrazol-5-yl)ethanone;3-[[2-(1H-indol-5-yl)-6-[2-[4-(trifluoromethyl)phenyl]acetyl]pyrimidin-4-yl]amino]pyrrolidin-2-one.
| Compound Name | 2-cyclopentyl-1-[6-(1H-indol-5-yl)-2-pyridinyl]ethanone;(2,6-dimethylmorpholin-4-yl)-[6-(1H-indol-5-yl)-2-pyridinyl]methanone;[6-(1H-indol-5-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone;1-[6-(1H-indol-5-yl)-2-pyridinyl]-2-(2H-tetrazol-5-yl)ethanone;3-[[2-(1H-indol-5-yl)-6-[2-[4-(trifluoromethyl)phenyl]acetyl]pyrimidin-4-yl]amino]pyrrolidin-2-one |
|---|---|
| PubChem CID | 159304313 |
| Molecular Formula | C99H90F3N19O7 |
| Molecular Weight | 1714.93 g/mol |
| Exact Mass | 1713.72 |
| IUPAC Name | 2-cyclopentyl-1-[6-(1H-indol-5-yl)-2-pyridinyl]ethanone;(2,6-dimethylmorpholin-4-yl)-[6-(1H-indol-5-yl)-2-pyridinyl]methanone;[6-(1H-indol-5-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone;1-[6-(1H-indol-5-yl)-2-pyridinyl]-2-(2H-tetrazol-5-yl)ethanone;3-[[2-(1H-indol-5-yl)-6-[2-[4-(trifluoromethyl)phenyl]acetyl]pyrimidin-4-yl]amino]pyrrolidin-2-one |
| SMILES | CC1CN(C(=O)c2cccc(-c3ccc4[nH]ccc4c3)n2)CC(C)O1.O=C(CC1CCCC1)c1cccc(-c2ccc3[nH]ccc3c2)n1.O=C(Cc1ccc(C(F)(F)F)cc1)c1cc(NC2CCNC2=O)nc(-c2ccc3[nH]ccc3c2)n1.O=C(Cc1nn[nH]n1)c1cccc(-c2ccc3[nH]ccc3c2)n1.O=C(c1cccc(-c2ccc3[nH]ccc3c2)n1)N1CCCC1 |
| InChI | InChI=1S/C25H20F3N5O2.C20H21N3O2.C20H20N2O.C18H17N3O.C16H12N6O/c26-25(27,28)17-4-1-14(2-5-17)11-21(34)20-13-22(31-19-8-10-30-24(19)35)33-23(32-20)16-3-6-18-15(12-16)7-9-29-18;1-13-11-23(12-14(2)25-13)20(24)19-5-3-4-18(22-19)15-6-7-17-16(10-15)8-9-21-17;23-20(12-14-4-1-2-5-14)19-7-3-6-18(22-19)15-8-9-17-16(13-15)10-11-21-17;22-18(21-10-1-2-11-21)17-5-3-4-16(20-17)13-6-7-15-14(12-13)8-9-19-15;23-15(9-16-19-21-22-20-16)14-3-1-2-13(18-14)10-4-5-12-11(8-10)6-7-17-12/h1-7,9,12-13,19,29H,8,10-11H2,(H,30,35)(H,31,32,33);3-10,13-14,21H,11-12H2,1-2H3;3,6-11,13-14,21H,1-2,4-5,12H2;3-9,12,19H,1-2,10-11H2;1-8,17H,9H2,(H,19,20,21,22) |
| InChIKey | LBSMQMPERMQZFC-UHFFFAOYSA-N |
| XLogP | 18.48 |
| TPSA | 352.94 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 17 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 128 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1714.93 |
| LogP ≤ 5 | 18.48 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 17 |