C159H187F3N40O14 — CID 158262178
2-(2-cyanopropan-2-yl)-N-[3-[2-(ethylamino)-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[3-[2-(ethylamino)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[3-[2-(ethylamino)-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide (PubChem CID 158262178) has the molecular formula C159H187F3N40O14 and a molecular weight of 2939.50 g/mol. Its IUPAC name is 2-(2-cyanopropan-2-yl)-N-[3-[2-(ethylamino)-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[3-[2-(ethylamino)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[3-[2-(ethylamino)-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide.
| Compound Name | 2-(2-cyanopropan-2-yl)-N-[3-[2-(ethylamino)-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[3-[2-(ethylamino)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[3-[2-(ethylamino)-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide |
|---|---|
| PubChem CID | 158262178 |
| Molecular Formula | C159H187F3N40O14 |
| Molecular Weight | 2939.50 g/mol |
| Exact Mass | 2937.51 |
| IUPAC Name | 2-(2-cyanopropan-2-yl)-N-[3-[2-(ethylamino)-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[3-[2-(ethylamino)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[3-[2-(ethylamino)-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide |
| SMILES | CCNc1nc(-c2cc(NC(=O)c3cccc(C(F)(F)F)c3)cnc2C)cc(N2CCOCC2)n1.CCNc1nc(-c2cc(NC(=O)c3ccnc(C(C)(C)C#N)c3)ccc2C)cc(N2CCOCC2)n1.CCNc1nc(-c2cc(NC(=O)c3ccnc(C(C)(C)C#N)c3)ccc2C)cc(N2CCOC[C@@H]2C)n1.CCNc1nc(-c2cc(NC(=O)c3ccnc(C(C)(C)C#N)c3)cnc2C)cc(N2CCOCC2)n1.CCNc1nc(-c2cc(NC(=O)c3ccnc(C(C)(C)O)c3)ccc2C)cc(N2CCOC[C@@H]2C)n1.CCNc1nc(-c2cc(NC(=O)c3ccnc(C(C)(C)O)c3)ccc2C)cc(N2CCOC[C@H]2C)n1 |
| InChI | InChI=1S/C28H33N7O2.C27H31N7O2.2C27H34N6O3.C26H30N8O2.C24H25F3N6O2/c1-6-30-27-33-23(15-25(34-27)35-11-12-37-16-19(35)3)22-14-21(8-7-18(22)2)32-26(36)20-9-10-31-24(13-20)28(4,5)17-29;1-5-29-26-32-22(16-24(33-26)34-10-12-36-13-11-34)21-15-20(7-6-18(21)2)31-25(35)19-8-9-30-23(14-19)27(3,4)17-28;2*1-6-28-26-31-22(15-24(32-26)33-11-12-36-16-18(33)3)21-14-20(8-7-17(21)2)30-25(34)19-9-10-29-23(13-19)27(4,5)35;1-5-28-25-32-21(14-23(33-25)34-8-10-36-11-9-34)20-13-19(15-30-17(20)2)31-24(35)18-6-7-29-22(12-18)26(3,4)16-27;1-3-28-23-31-20(13-21(32-23)33-7-9-35-10-8-33)19-12-18(14-29-15(19)2)30-22(34)16-5-4-6-17(11-16)24(25,26)27/h7-10,13-15,19H,6,11-12,16H2,1-5H3,(H,32,36)(H,30,33,34);6-9,14-16H,5,10-13H2,1-4H3,(H,31,35)(H,29,32,33);2*7-10,13-15,18,35H,6,11-12,16H2,1-5H3,(H,30,34)(H,28,31,32);6-7,12-15H,5,8-11H2,1-4H3,(H,31,35)(H,28,32,33);4-6,11-14H,3,7-10H2,1-2H3,(H,30,34)(H,28,31,32)/t19-;;2*18-;;/m0.10../s1 |
| InChIKey | GHZVIUACSAVGMQ-GZCNWDQDSA-N |
| XLogP | 24.64 |
| TPSA | 678.34 Ų |
| H-Bond Donors | 14 |
| H-Bond Acceptors | 48 |
| Rotatable Bonds | 41 |
| Heavy Atoms | 216 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2939.50 |
| LogP ≤ 5 | 24.64 |
| H-Bond Donors ≤ 5 | 14 |
| H-Bond Acceptors ≤ 10 | 48 |