C108H92N10O5 — CID 160876743
(2S)-1-[1-(2-cyclopropyl-4-pyridinyl)-3,5-dihydrocyclopenta[f]isoindol-6-yl]-3-hydroxy-2-phenylpropan-1-one;1-[1-(2-cyclopropyl-4-pyridinyl)-3,5-dihydrocyclopenta[f]isoindol-6-yl]-2-(6-methyl-2-pyridinyl)ethanone;(2R)-1-[1-(2-cyclopropyl-4-pyridinyl)-3,5-dihydrocyclopenta[f]isoindol-6-yl]-2-(6-methyl-2-pyridinyl)propan-1-one;1-[1-(2-methyl-4-pyridinyl)-3,5-dihydrocyclopenta[f]isoindol-6-yl]-2-phenylethanone (PubChem CID 160876743) has the molecular formula C108H92N10O5 and a molecular weight of 1609.99 g/mol. Its IUPAC name is (2S)-1-[1-(2-cyclopropyl-4-pyridinyl)-3,5-dihydrocyclopenta[f]isoindol-6-yl]-3-hydroxy-2-phenylpropan-1-one;1-[1-(2-cyclopropyl-4-pyridinyl)-3,5-dihydrocyclopenta[f]isoindol-6-yl]-2-(6-methyl-2-pyridinyl)ethanone;(2R)-1-[1-(2-cyclopropyl-4-pyridinyl)-3,5-dihydrocyclopenta[f]isoindol-6-yl]-2-(6-methyl-2-pyridinyl)propan-1-one;1-[1-(2-methyl-4-pyridinyl)-3,5-dihydrocyclopenta[f]isoindol-6-yl]-2-phenylethanone.
| Compound Name | (2S)-1-[1-(2-cyclopropyl-4-pyridinyl)-3,5-dihydrocyclopenta[f]isoindol-6-yl]-3-hydroxy-2-phenylpropan-1-one;1-[1-(2-cyclopropyl-4-pyridinyl)-3,5-dihydrocyclopenta[f]isoindol-6-yl]-2-(6-methyl-2-pyridinyl)ethanone;(2R)-1-[1-(2-cyclopropyl-4-pyridinyl)-3,5-dihydrocyclopenta[f]isoindol-6-yl]-2-(6-methyl-2-pyridinyl)propan-1-one;1-[1-(2-methyl-4-pyridinyl)-3,5-dihydrocyclopenta[f]isoindol-6-yl]-2-phenylethanone |
|---|---|
| PubChem CID | 160876743 |
| Molecular Formula | C108H92N10O5 |
| Molecular Weight | 1609.99 g/mol |
| Exact Mass | 1608.73 |
| IUPAC Name | (2S)-1-[1-(2-cyclopropyl-4-pyridinyl)-3,5-dihydrocyclopenta[f]isoindol-6-yl]-3-hydroxy-2-phenylpropan-1-one;1-[1-(2-cyclopropyl-4-pyridinyl)-3,5-dihydrocyclopenta[f]isoindol-6-yl]-2-(6-methyl-2-pyridinyl)ethanone;(2R)-1-[1-(2-cyclopropyl-4-pyridinyl)-3,5-dihydrocyclopenta[f]isoindol-6-yl]-2-(6-methyl-2-pyridinyl)propan-1-one;1-[1-(2-methyl-4-pyridinyl)-3,5-dihydrocyclopenta[f]isoindol-6-yl]-2-phenylethanone |
| SMILES | Cc1cc(C2=NCc3cc4c(cc32)C=C(C(=O)Cc2ccccc2)C4)ccn1.Cc1cccc(CC(=O)C2=Cc3cc4c(cc3C2)CN=C4c2ccnc(C3CC3)c2)n1.Cc1cccc([C@@H](C)C(=O)C2=Cc3cc4c(cc3C2)CN=C4c2ccnc(C3CC3)c2)n1.O=C(C1=Cc2cc3c(cc2C1)CN=C3c1ccnc(C2CC2)c1)[C@H](CO)c1ccccc1 |
| InChI | InChI=1S/C28H25N3O.C28H24N2O2.C27H23N3O.C25H20N2O/c1-16-4-3-5-25(31-16)17(2)28(32)22-10-20-12-23-15-30-27(24(23)13-21(20)11-22)19-8-9-29-26(14-19)18-6-7-18;31-16-25(17-4-2-1-3-5-17)28(32)22-10-20-12-23-15-30-27(24(23)13-21(20)11-22)19-8-9-29-26(14-19)18-6-7-18;1-16-3-2-4-23(30-16)14-26(31)21-9-19-11-22-15-29-27(24(22)12-20(19)10-21)18-7-8-28-25(13-18)17-5-6-17;1-16-9-18(7-8-26-16)25-23-14-20-12-21(11-19(20)13-22(23)15-27-25)24(28)10-17-5-3-2-4-6-17/h3-5,8-9,11-14,17-18H,6-7,10,15H2,1-2H3;1-5,8-9,11-14,18,25,31H,6-7,10,15-16H2;2-4,7-8,10-13,17H,5-6,9,14-15H2,1H3;2-9,12-14H,10-11,15H2,1H3/t17-;25-;;/m11../s1 |
| InChIKey | SMMNJSKHZCMCAA-WRMPQLHRSA-N |
| XLogP | 19.18 |
| TPSA | 215.29 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 123 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1609.99 |
| LogP ≤ 5 | 19.18 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 15 |