C135H153F5N22O18S — CID 160670427
4-(2-cyanopropan-2-yl)-N-[4-methyl-3-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)phenyl]pyridine-2-carboxamide;2-(1,1-difluoroethyl)-N-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide;4-(2-hydroxypropan-2-yl)-N-[4-methyl-3-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)phenyl]pyridine-2-carboxamide;N-[4-methyl-3-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)phenyl]-2-methylsulfonylpyridine-4-carboxamide;N-[4-methyl-3-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 160670427) has the molecular formula C135H153F5N22O18S and a molecular weight of 2498.90 g/mol. Its IUPAC name is 4-(2-cyanopropan-2-yl)-N-[4-methyl-3-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)phenyl]pyridine-2-carboxamide;2-(1,1-difluoroethyl)-N-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide;4-(2-hydroxypropan-2-yl)-N-[4-methyl-3-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)phenyl]pyridine-2-carboxamide;N-[4-methyl-3-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)phenyl]-2-methylsulfonylpyridine-4-carboxamide;N-[4-methyl-3-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide.
| Compound Name | 4-(2-cyanopropan-2-yl)-N-[4-methyl-3-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)phenyl]pyridine-2-carboxamide;2-(1,1-difluoroethyl)-N-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide;4-(2-hydroxypropan-2-yl)-N-[4-methyl-3-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)phenyl]pyridine-2-carboxamide;N-[4-methyl-3-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)phenyl]-2-methylsulfonylpyridine-4-carboxamide;N-[4-methyl-3-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide |
|---|---|
| PubChem CID | 160670427 |
| Molecular Formula | C135H153F5N22O18S |
| Molecular Weight | 2498.90 g/mol |
| Exact Mass | 2497.14 |
| IUPAC Name | 4-(2-cyanopropan-2-yl)-N-[4-methyl-3-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)phenyl]pyridine-2-carboxamide;2-(1,1-difluoroethyl)-N-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide;4-(2-hydroxypropan-2-yl)-N-[4-methyl-3-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)phenyl]pyridine-2-carboxamide;N-[4-methyl-3-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)phenyl]-2-methylsulfonylpyridine-4-carboxamide;N-[4-methyl-3-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide |
| SMILES | Cc1ccc(NC(=O)c2cc(C(C)(C)C#N)ccn2)cc1-c1cnc(OC(C)C)c(N2CCOCC2)c1.Cc1ccc(NC(=O)c2cc(C(C)(C)O)ccn2)cc1-c1cnc(OC(C)C)c(N2CCOCC2)c1.Cc1ccc(NC(=O)c2ccnc(S(C)(=O)=O)c2)cc1-c1cnc(OC(C)C)c(N2CCOCC2)c1.Cc1ccc(NC(=O)c2cncc(C(F)(F)F)c2)cc1-c1cnc(OC(C)C)c(N2CCOCC2)c1.Cc1ncc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1cnc(OC(C)C)c(N2CCOCC2)c1 |
| InChI | InChI=1S/C29H33N5O3.C28H34N4O4.C26H27F3N4O3.C26H29F2N5O3.C26H30N4O5S/c1-19(2)37-28-26(34-10-12-36-13-11-34)14-21(17-32-28)24-16-23(7-6-20(24)3)33-27(35)25-15-22(8-9-31-25)29(4,5)18-30;1-18(2)36-27-25(32-10-12-35-13-11-32)14-20(17-30-27)23-16-22(7-6-19(23)3)31-26(33)24-15-21(8-9-29-24)28(4,5)34;1-16(2)36-25-23(33-6-8-35-9-7-33)11-18(14-31-25)22-12-21(5-4-17(22)3)32-24(34)19-10-20(15-30-13-19)26(27,28)29;1-16(2)36-25-22(33-7-9-35-10-8-33)11-19(14-31-25)21-13-20(15-30-17(21)3)32-24(34)18-5-6-29-23(12-18)26(4,27)28;1-17(2)35-26-23(30-9-11-34-12-10-30)13-20(16-28-26)22-15-21(6-5-18(22)3)29-25(31)19-7-8-27-24(14-19)36(4,32)33/h6-9,14-17,19H,10-13H2,1-5H3,(H,33,35);6-9,14-18,34H,10-13H2,1-5H3,(H,31,33);4-5,10-16H,6-9H2,1-3H3,(H,32,34);5-6,11-16H,7-10H2,1-4H3,(H,32,34);5-8,13-17H,9-12H2,1-4H3,(H,29,31) |
| InChIKey | RMVYBIQSOHAKPL-UHFFFAOYSA-N |
| XLogP | 23.60 |
| TPSA | 473.95 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 35 |
| Rotatable Bonds | 34 |
| Heavy Atoms | 181 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2498.90 |
| LogP ≤ 5 | 23.60 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 35 |