C102H101F13N14O8 — CID 159170657
3-(6-tert-butyl-3-pyridinyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-6-yl)propanamide;N-(1H-indol-5-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-7-ylpropanamide (PubChem CID 159170657) has the molecular formula C102H101F13N14O8 and a molecular weight of 1897.99 g/mol. Its IUPAC name is 3-(6-tert-butyl-3-pyridinyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-6-yl)propanamide;N-(1H-indol-5-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-7-ylpropanamide.
| Compound Name | 3-(6-tert-butyl-3-pyridinyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-6-yl)propanamide;N-(1H-indol-5-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-7-ylpropanamide |
|---|---|
| PubChem CID | 159170657 |
| Molecular Formula | C102H101F13N14O8 |
| Molecular Weight | 1897.99 g/mol |
| Exact Mass | 1896.77 |
| IUPAC Name | 3-(6-tert-butyl-3-pyridinyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-6-yl)propanamide;N-(1H-indol-5-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-7-ylpropanamide |
| SMILES | CC(C)(C)c1ccc(CCC(=O)Nc2ccc3c(c2)NC(=O)CC3)cn1.O=C(CCc1ccc(C(F)(F)F)cc1)Nc1ccc2[nH]ccc2c1.O=C(CCc1ccc(C(F)(F)F)cc1F)Nc1ccc2cc[nH]c2c1.O=C(CCc1ccc(C(F)(F)F)nc1N1CCCCC1)Nc1ccc2c(c1)OCCO2.O=C(CCc1ccc(C(F)(F)F)nc1N1CCCCC1)Nc1ccc2cccnc2c1 |
| InChI | InChI=1S/C23H23F3N4O.C22H24F3N3O3.C21H25N3O2.C18H14F4N2O.C18H15F3N2O/c24-23(25,26)20-10-7-17(22(29-20)30-13-2-1-3-14-30)8-11-21(31)28-18-9-6-16-5-4-12-27-19(16)15-18;23-22(24,25)19-8-4-15(21(27-19)28-10-2-1-3-11-28)5-9-20(29)26-16-6-7-17-18(14-16)31-13-12-30-17;1-21(2,3)18-9-4-14(13-22-18)5-10-19(25)23-16-8-6-15-7-11-20(26)24-17(15)12-16;19-15-9-13(18(20,21)22)4-1-11(15)3-6-17(25)24-14-5-2-12-7-8-23-16(12)10-14;19-18(20,21)14-4-1-12(2-5-14)3-8-17(24)23-15-6-7-16-13(11-15)9-10-22-16/h4-7,9-10,12,15H,1-3,8,11,13-14H2,(H,28,31);4,6-8,14H,1-3,5,9-13H2,(H,26,29);4,6,8-9,12-13H,5,7,10-11H2,1-3H3,(H,23,25)(H,24,26);1-2,4-5,7-10,23H,3,6H2,(H,24,25);1-2,4-7,9-11,22H,3,8H2,(H,23,24) |
| InChIKey | KLQJXTWYMJMOSB-UHFFFAOYSA-N |
| XLogP | 23.13 |
| TPSA | 282.68 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 14 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 137 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1897.99 |
| LogP ≤ 5 | 23.13 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 14 |