C142H151F14N17O17 — CID 160661326
2-(1,1-difluoropropyl)-N-[5-[2-(4-hydroxypiperidin-1-yl)-6-(oxan-4-yl)-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[2-(2-hydroxyethoxy)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[2-(4-hydroxypiperidin-1-yl)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[2-(4-hydroxypiperidin-1-yl)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 160661326) has the molecular formula C142H151F14N17O17 and a molecular weight of 2633.84 g/mol. Its IUPAC name is 2-(1,1-difluoropropyl)-N-[5-[2-(4-hydroxypiperidin-1-yl)-6-(oxan-4-yl)-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[2-(2-hydroxyethoxy)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[2-(4-hydroxypiperidin-1-yl)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[2-(4-hydroxypiperidin-1-yl)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.
| Compound Name | 2-(1,1-difluoropropyl)-N-[5-[2-(4-hydroxypiperidin-1-yl)-6-(oxan-4-yl)-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[2-(2-hydroxyethoxy)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[2-(4-hydroxypiperidin-1-yl)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[2-(4-hydroxypiperidin-1-yl)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide |
|---|---|
| PubChem CID | 160661326 |
| Molecular Formula | C142H151F14N17O17 |
| Molecular Weight | 2633.84 g/mol |
| Exact Mass | 2632.13 |
| IUPAC Name | 2-(1,1-difluoropropyl)-N-[5-[2-(4-hydroxypiperidin-1-yl)-6-(oxan-4-yl)-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[2-(2-hydroxyethoxy)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[2-(4-hydroxypiperidin-1-yl)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[2-(4-hydroxypiperidin-1-yl)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide |
| SMILES | CCC(F)(F)c1cc(C(=O)Nc2cnc(C)c(-c3cc(C4CCOCC4)nc(N4CCC(O)CC4)c3)c2)ccn1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(C2CCOCC2)nc(N2CCC(O)CC2)c1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(OCCO)nc(C2CCOCC2)c1.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(C2CCOCC2)nc(N2CCC(O)CC2)c1.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(OCCO)nc(C2CCOCC2)c1 |
| InChI | InChI=1S/C30H32F3N3O3.C30H35F2N5O3.C29H31F3N4O3.C27H27F3N2O4.C26H26F3N3O4/c1-19-5-6-24(34-29(38)21-3-2-4-23(15-21)30(31,32)33)18-26(19)22-16-27(20-9-13-39-14-10-20)35-28(17-22)36-11-7-25(37)8-12-36;1-3-30(31,32)27-15-21(4-9-33-27)29(39)35-23-17-25(19(2)34-18-23)22-14-26(20-7-12-40-13-8-20)36-28(16-22)37-10-5-24(38)6-11-37;1-18-2-3-22(34-28(38)20-4-9-33-26(15-20)29(30,31)32)17-24(18)21-14-25(19-7-12-39-13-8-19)35-27(16-21)36-10-5-23(37)6-11-36;1-17-5-6-22(31-26(34)19-3-2-4-21(13-19)27(28,29)30)16-23(17)20-14-24(18-7-10-35-11-8-18)32-25(15-20)36-12-9-33;1-16-2-3-20(31-25(34)18-4-7-30-23(13-18)26(27,28)29)15-21(16)19-12-22(17-5-9-35-10-6-17)32-24(14-19)36-11-8-33/h2-6,15-18,20,25,37H,7-14H2,1H3,(H,34,38);4,9,14-18,20,24,38H,3,5-8,10-13H2,1-2H3,(H,35,39);2-4,9,14-17,19,23,37H,5-8,10-13H2,1H3,(H,34,38);2-6,13-16,18,33H,7-12H2,1H3,(H,31,34);2-4,7,12-15,17,33H,5-6,8-11H2,1H3,(H,31,34) |
| InChIKey | RLSBECNOBGADCK-UHFFFAOYSA-N |
| XLogP | 27.80 |
| TPSA | 436.99 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 29 |
| Rotatable Bonds | 31 |
| Heavy Atoms | 190 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2633.84 |
| LogP ≤ 5 | 27.80 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 29 |