C154H161F17N32O19 — CID 158188983
2-(1-cyanocyclopropyl)-N-[3-[3-fluoro-6-(2-hydroxyethylamino)-2-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(difluoromethyl)-N-[3-[3-fluoro-6-(2-hydroxyethylamino)-2-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[3-fluoro-6-(2-hydroxyethylamino)-2-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[3-[3-fluoro-2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[3-[3-fluoro-2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[3-fluoro-6-(2-hydroxyethylamino)-2-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 158188983) has the molecular formula C154H161F17N32O19 and a molecular weight of 3087.15 g/mol. Its IUPAC name is 2-(1-cyanocyclopropyl)-N-[3-[3-fluoro-6-(2-hydroxyethylamino)-2-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(difluoromethyl)-N-[3-[3-fluoro-6-(2-hydroxyethylamino)-2-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[3-fluoro-6-(2-hydroxyethylamino)-2-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[3-[3-fluoro-2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[3-[3-fluoro-2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[3-fluoro-6-(2-hydroxyethylamino)-2-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.
| Compound Name | 2-(1-cyanocyclopropyl)-N-[3-[3-fluoro-6-(2-hydroxyethylamino)-2-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(difluoromethyl)-N-[3-[3-fluoro-6-(2-hydroxyethylamino)-2-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[3-fluoro-6-(2-hydroxyethylamino)-2-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[3-[3-fluoro-2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[3-[3-fluoro-2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[3-fluoro-6-(2-hydroxyethylamino)-2-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide |
|---|---|
| PubChem CID | 158188983 |
| Molecular Formula | C154H161F17N32O19 |
| Molecular Weight | 3087.15 g/mol |
| Exact Mass | 3085.23 |
| IUPAC Name | 2-(1-cyanocyclopropyl)-N-[3-[3-fluoro-6-(2-hydroxyethylamino)-2-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(difluoromethyl)-N-[3-[3-fluoro-6-(2-hydroxyethylamino)-2-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[3-fluoro-6-(2-hydroxyethylamino)-2-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[3-[3-fluoro-2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[3-[3-fluoro-2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[3-fluoro-6-(2-hydroxyethylamino)-2-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide |
| SMILES | Cc1ccc(NC(=O)c2ccnc(C(C)(C)O)c2)cc1-c1cc(NCCO)nc(N2CCOCC2)c1F.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)nc(NCCO)c1F.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(NCCO)nc(N2CCOCC2)c1F.Cc1ccc(NC(=O)c2ccnc(C(F)F)c2)cc1-c1cc(NCCO)nc(N2CCOCC2)c1F.Cc1ccc(NC(=O)c2ccnc(C3(C#N)CC3)c2)cc1-c1cc(NCCO)nc(N2CCOCC2)c1F.Cc1ccc(NC(=O)c2cnnc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)nc(NCCO)c1F |
| InChI | InChI=1S/C28H29FN6O3.C27H32FN5O4.2C25H25F4N5O3.C25H26F3N5O3.C24H24F4N6O3/c1-18-2-3-20(33-27(37)19-4-7-31-23(14-19)28(17-30)5-6-28)15-21(18)22-16-24(32-8-11-36)34-26(25(22)29)35-9-12-38-13-10-35;1-17-4-5-19(31-26(35)18-6-7-29-22(14-18)27(2,3)36)15-20(17)21-16-23(30-8-11-34)32-25(24(21)28)33-9-12-37-13-10-33;1-15-2-3-17(32-24(36)16-4-5-30-20(12-16)25(27,28)29)13-18(15)19-14-21(34-7-10-37-11-8-34)33-23(22(19)26)31-6-9-35;1-15-2-3-17(32-24(36)16-4-5-30-20(12-16)25(27,28)29)13-18(15)19-14-21(31-6-9-35)33-23(22(19)26)34-7-10-37-11-8-34;1-15-2-3-17(31-25(35)16-4-5-29-20(12-16)23(27)28)13-18(15)19-14-21(30-6-9-34)32-24(22(19)26)33-7-10-36-11-8-33;1-14-2-3-16(31-23(36)15-10-19(24(26,27)28)33-30-13-15)11-17(14)18-12-20(34-5-8-37-9-6-34)32-22(21(18)25)29-4-7-35/h2-4,7,14-16,36H,5-6,8-13H2,1H3,(H,32,34)(H,33,37);4-7,14-16,34,36H,8-13H2,1-3H3,(H,30,32)(H,31,35);2*2-5,12-14,35H,6-11H2,1H3,(H,31,33)(H,32,36);2-5,12-14,23,34H,6-11H2,1H3,(H,30,32)(H,31,35);2-3,10-13,35H,4-9H2,1H3,(H,29,32)(H,31,36) |
| InChIKey | FZMUPAVAYKDQDZ-UHFFFAOYSA-N |
| XLogP | 22.68 |
| TPSA | 654.57 Ų |
| H-Bond Donors | 19 |
| H-Bond Acceptors | 45 |
| Rotatable Bonds | 45 |
| Heavy Atoms | 222 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3087.15 |
| LogP ≤ 5 | 22.68 |
| H-Bond Donors ≤ 5 | 19 |
| H-Bond Acceptors ≤ 10 | 45 |