C122H121F15N22O7 — CID 160595077
3-(6-tert-butyl-3-pyridinyl)-N-(1H-indol-6-yl)propanamide;3-[2-(4-hydroxypiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-3-ylpropanamide;N-(1H-indol-5-yl)-3-[2-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]propanamide;N-(1H-indol-5-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide;N-(1H-indol-6-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide;3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-3-ylpropanamide (PubChem CID 160595077) has the molecular formula C122H121F15N22O7 and a molecular weight of 2292.43 g/mol. Its IUPAC name is 3-(6-tert-butyl-3-pyridinyl)-N-(1H-indol-6-yl)propanamide;3-[2-(4-hydroxypiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-3-ylpropanamide;N-(1H-indol-5-yl)-3-[2-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]propanamide;N-(1H-indol-5-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide;N-(1H-indol-6-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide;3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-3-ylpropanamide.
| Compound Name | 3-(6-tert-butyl-3-pyridinyl)-N-(1H-indol-6-yl)propanamide;3-[2-(4-hydroxypiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-3-ylpropanamide;N-(1H-indol-5-yl)-3-[2-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]propanamide;N-(1H-indol-5-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide;N-(1H-indol-6-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide;3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-3-ylpropanamide |
|---|---|
| PubChem CID | 160595077 |
| Molecular Formula | C122H121F15N22O7 |
| Molecular Weight | 2292.43 g/mol |
| Exact Mass | 2290.95 |
| IUPAC Name | 3-(6-tert-butyl-3-pyridinyl)-N-(1H-indol-6-yl)propanamide;3-[2-(4-hydroxypiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-3-ylpropanamide;N-(1H-indol-5-yl)-3-[2-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]propanamide;N-(1H-indol-5-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide;N-(1H-indol-6-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide;3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-3-ylpropanamide |
| SMILES | CC(C)(C)c1ccc(CCC(=O)Nc2ccc3cc[nH]c3c2)cn1.CN1CCN(c2nc(C(F)(F)F)ccc2CCC(=O)Nc2ccc3[nH]ccc3c2)CC1.O=C(CCc1ccc(C(F)(F)F)nc1)Nc1ccc2[nH]ccc2c1.O=C(CCc1ccc(C(F)(F)F)nc1)Nc1ccc2cc[nH]c2c1.O=C(CCc1ccc(C(F)(F)F)nc1N1CCC(O)CC1)Nc1cnc2ccccc2c1.O=C(CCc1ccc(C(F)(F)F)nc1N1CCCCC1)Nc1cnc2ccccc2c1 |
| InChI | InChI=1S/C23H23F3N4O2.C23H23F3N4O.C22H24F3N5O.C20H23N3O.2C17H14F3N3O/c24-23(25,26)20-7-5-15(22(29-20)30-11-9-18(31)10-12-30)6-8-21(32)28-17-13-16-3-1-2-4-19(16)27-14-17;24-23(25,26)20-10-8-16(22(29-20)30-12-4-1-5-13-30)9-11-21(31)28-18-14-17-6-2-3-7-19(17)27-15-18;1-29-10-12-30(13-11-29)21-15(2-6-19(28-21)22(23,24)25)3-7-20(31)27-17-4-5-18-16(14-17)8-9-26-18;1-20(2,3)18-8-4-14(13-22-18)5-9-19(24)23-16-7-6-15-10-11-21-17(15)12-16;18-17(19,20)15-5-1-11(10-22-15)2-6-16(24)23-13-3-4-14-12(9-13)7-8-21-14;18-17(19,20)15-5-1-11(10-22-15)2-6-16(24)23-13-4-3-12-7-8-21-14(12)9-13/h1-5,7,13-14,18,31H,6,8-12H2,(H,28,32);2-3,6-8,10,14-15H,1,4-5,9,11-13H2,(H,28,31);2,4-6,8-9,14,26H,3,7,10-13H2,1H3,(H,27,31);4,6-8,10-13,21H,5,9H2,1-3H3,(H,23,24);2*1,3-5,7-10,21H,2,6H2,(H,23,24) |
| InChIKey | RDNFAIZXCLPTFP-UHFFFAOYSA-N |
| XLogP | 26.03 |
| TPSA | 374.07 Ų |
| H-Bond Donors | 11 |
| H-Bond Acceptors | 19 |
| Rotatable Bonds | 27 |
| Heavy Atoms | 166 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2292.43 |
| LogP ≤ 5 | 26.03 |
| H-Bond Donors ≤ 5 | 11 |
| H-Bond Acceptors ≤ 10 | 19 |