C160H174N20O9 — CID 159167571
4-[4-[2-[7-(1-hydroxyethyl)-1H-indol-3-yl]ethylamino]-3-methylanilino]-5,6-dihydrocyclopenta[b]pyridin-7-one;4-[4-[3-[7-(hydroxymethyl)-1H-indol-3-yl]propyl]anilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol;1-[3-[3-[4-[[2-(hydroxymethyl)-4-pyridinyl]amino]-2-methylphenyl]propyl]-1H-indol-7-yl]ethanol;4-[4-[2-[7-(2-hydroxypropan-2-yl)-1H-indol-3-yl]ethylamino]-3-methylanilino]-7-methyl-5,6-dihydrocyclopenta[b]pyridin-7-ol;N-[3-methyl-4-[3-(7-prop-1-en-2-yl-1H-indol-3-yl)propyl]phenyl]pyridin-4-amine;2-[3-[3-[2-methyl-4-(pyridin-4-ylamino)phenyl]propyl]-1H-indol-7-yl]propan-2-ol (PubChem CID 159167571) has the molecular formula C160H174N20O9 and a molecular weight of 2521.28 g/mol. Its IUPAC name is 4-[4-[2-[7-(1-hydroxyethyl)-1H-indol-3-yl]ethylamino]-3-methylanilino]-5,6-dihydrocyclopenta[b]pyridin-7-one;4-[4-[3-[7-(hydroxymethyl)-1H-indol-3-yl]propyl]anilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol;1-[3-[3-[4-[[2-(hydroxymethyl)-4-pyridinyl]amino]-2-methylphenyl]propyl]-1H-indol-7-yl]ethanol;4-[4-[2-[7-(2-hydroxypropan-2-yl)-1H-indol-3-yl]ethylamino]-3-methylanilino]-7-methyl-5,6-dihydrocyclopenta[b]pyridin-7-ol;N-[3-methyl-4-[3-(7-prop-1-en-2-yl-1H-indol-3-yl)propyl]phenyl]pyridin-4-amine;2-[3-[3-[2-methyl-4-(pyridin-4-ylamino)phenyl]propyl]-1H-indol-7-yl]propan-2-ol.
| Compound Name | 4-[4-[2-[7-(1-hydroxyethyl)-1H-indol-3-yl]ethylamino]-3-methylanilino]-5,6-dihydrocyclopenta[b]pyridin-7-one;4-[4-[3-[7-(hydroxymethyl)-1H-indol-3-yl]propyl]anilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol;1-[3-[3-[4-[[2-(hydroxymethyl)-4-pyridinyl]amino]-2-methylphenyl]propyl]-1H-indol-7-yl]ethanol;4-[4-[2-[7-(2-hydroxypropan-2-yl)-1H-indol-3-yl]ethylamino]-3-methylanilino]-7-methyl-5,6-dihydrocyclopenta[b]pyridin-7-ol;N-[3-methyl-4-[3-(7-prop-1-en-2-yl-1H-indol-3-yl)propyl]phenyl]pyridin-4-amine;2-[3-[3-[2-methyl-4-(pyridin-4-ylamino)phenyl]propyl]-1H-indol-7-yl]propan-2-ol |
|---|---|
| PubChem CID | 159167571 |
| Molecular Formula | C160H174N20O9 |
| Molecular Weight | 2521.28 g/mol |
| Exact Mass | 2519.38 |
| IUPAC Name | 4-[4-[2-[7-(1-hydroxyethyl)-1H-indol-3-yl]ethylamino]-3-methylanilino]-5,6-dihydrocyclopenta[b]pyridin-7-one;4-[4-[3-[7-(hydroxymethyl)-1H-indol-3-yl]propyl]anilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol;1-[3-[3-[4-[[2-(hydroxymethyl)-4-pyridinyl]amino]-2-methylphenyl]propyl]-1H-indol-7-yl]ethanol;4-[4-[2-[7-(2-hydroxypropan-2-yl)-1H-indol-3-yl]ethylamino]-3-methylanilino]-7-methyl-5,6-dihydrocyclopenta[b]pyridin-7-ol;N-[3-methyl-4-[3-(7-prop-1-en-2-yl-1H-indol-3-yl)propyl]phenyl]pyridin-4-amine;2-[3-[3-[2-methyl-4-(pyridin-4-ylamino)phenyl]propyl]-1H-indol-7-yl]propan-2-ol |
| SMILES | C=C(C)c1cccc2c(CCCc3ccc(Nc4ccncc4)cc3C)c[nH]c12.Cc1cc(Nc2ccnc(CO)c2)ccc1CCCc1c[nH]c2c(C(C)O)cccc12.Cc1cc(Nc2ccnc3c2CCC3(C)O)ccc1NCCc1c[nH]c2c(C(C)(C)O)cccc12.Cc1cc(Nc2ccnc3c2CCC3=O)ccc1NCCc1c[nH]c2c(C(C)O)cccc12.Cc1cc(Nc2ccncc2)ccc1CCCc1c[nH]c2c(C(C)(C)O)cccc12.OCc1cccc2c(CCCc3ccc(Nc4ccnc5c4CCC5O)cc3)c[nH]c12 |
| InChI | InChI=1S/C29H34N4O2.C27H28N4O2.C26H27N3O2.C26H29N3O2.C26H29N3O.C26H27N3/c1-18-16-20(33-25-12-15-31-27-22(25)10-13-29(27,4)35)8-9-24(18)30-14-11-19-17-32-26-21(19)6-5-7-23(26)28(2,3)34;1-16-14-19(31-24-11-13-29-27-22(24)7-9-25(27)33)6-8-23(16)28-12-10-18-15-30-26-20(17(2)32)4-3-5-21(18)26;30-16-19-5-2-6-21-18(15-28-25(19)21)4-1-3-17-7-9-20(10-8-17)29-23-13-14-27-26-22(23)11-12-24(26)31;1-17-13-21(29-22-11-12-27-23(14-22)16-30)10-9-19(17)5-3-6-20-15-28-26-24(18(2)31)7-4-8-25(20)26;1-18-16-22(29-21-12-14-27-15-13-21)11-10-19(18)6-4-7-20-17-28-25-23(20)8-5-9-24(25)26(2,3)30;1-18(2)24-8-5-9-25-21(17-28-26(24)25)7-4-6-20-10-11-23(16-19(20)3)29-22-12-14-27-15-13-22/h5-9,12,15-17,30,32,34-35H,10-11,13-14H2,1-4H3,(H,31,33);3-6,8,11,13-15,17,28,30,32H,7,9-10,12H2,1-2H3,(H,29,31);2,5-10,13-15,24,28,30-31H,1,3-4,11-12,16H2,(H,27,29);4,7-15,18,28,30-31H,3,5-6,16H2,1-2H3,(H,27,29);5,8-17,28,30H,4,6-7H2,1-3H3,(H,27,29);5,8-17,28H,1,4,6-7H2,2-3H3,(H,27,29) |
| InChIKey | KLGPOZLRQTWRFS-UHFFFAOYSA-N |
| XLogP | 34.23 |
| TPSA | 447.23 Ų |
| H-Bond Donors | 22 |
| H-Bond Acceptors | 23 |
| Rotatable Bonds | 43 |
| Heavy Atoms | 189 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2521.28 |
| LogP ≤ 5 | 34.23 |
| H-Bond Donors ≤ 5 | 22 |
| H-Bond Acceptors ≤ 10 | 23 |
| Structural Alerts | {'alert_name': 'anil_NH_alk_B(3)', 'substructure': 'N/A'} |
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