C135H158F4N26O16 — CID 157358027
2-(2-cyanopropan-2-yl)-N-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide;4-(1,1-difluoroethyl)-N-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]pyridine-2-carboxamide;2-(2-fluoropropan-2-yl)-N-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide;4-(2-fluoropropan-2-yl)-N-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]pyridine-2-carboxamide;2-(2-hydroxypropan-2-yl)-N-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide (PubChem CID 157358027) has the molecular formula C135H158F4N26O16 and a molecular weight of 2476.91 g/mol. Its IUPAC name is 2-(2-cyanopropan-2-yl)-N-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide;4-(1,1-difluoroethyl)-N-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]pyridine-2-carboxamide;2-(2-fluoropropan-2-yl)-N-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide;4-(2-fluoropropan-2-yl)-N-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]pyridine-2-carboxamide;2-(2-hydroxypropan-2-yl)-N-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide.
| Compound Name | 2-(2-cyanopropan-2-yl)-N-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide;4-(1,1-difluoroethyl)-N-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]pyridine-2-carboxamide;2-(2-fluoropropan-2-yl)-N-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide;4-(2-fluoropropan-2-yl)-N-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]pyridine-2-carboxamide;2-(2-hydroxypropan-2-yl)-N-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide |
|---|---|
| PubChem CID | 157358027 |
| Molecular Formula | C135H158F4N26O16 |
| Molecular Weight | 2476.91 g/mol |
| Exact Mass | 2475.23 |
| IUPAC Name | 2-(2-cyanopropan-2-yl)-N-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide;4-(1,1-difluoroethyl)-N-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]pyridine-2-carboxamide;2-(2-fluoropropan-2-yl)-N-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide;4-(2-fluoropropan-2-yl)-N-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]pyridine-2-carboxamide;2-(2-hydroxypropan-2-yl)-N-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide |
| SMILES | Cc1ncc(NC(=O)c2cc(C(C)(C)F)ccn2)cc1-c1cnc(OC(C)C)c(N2CCOCC2)c1.Cc1ncc(NC(=O)c2cc(C(C)(F)F)ccn2)cc1-c1cnc(OC(C)C)c(N2CCOCC2)c1.Cc1ncc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cnc(OC(C)C)c(N2CCOCC2)c1.Cc1ncc(NC(=O)c2ccnc(C(C)(C)F)c2)cc1-c1cnc(OC(C)C)c(N2CCOCC2)c1.Cc1ncc(NC(=O)c2ccnc(C(C)(C)O)c2)cc1-c1cnc(OC(C)C)c(N2CCOCC2)c1 |
| InChI | InChI=1S/C28H32N6O3.2C27H32FN5O3.C27H33N5O4.C26H29F2N5O3/c1-18(2)37-27-24(34-8-10-36-11-9-34)12-21(15-32-27)23-14-22(16-31-19(23)3)33-26(35)20-6-7-30-25(13-20)28(4,5)17-29;1-17(2)36-26-24(33-8-10-35-11-9-33)12-19(15-31-26)22-14-21(16-30-18(22)3)32-25(34)23-13-20(6-7-29-23)27(4,5)28;1-17(2)36-26-23(33-8-10-35-11-9-33)12-20(15-31-26)22-14-21(16-30-18(22)3)32-25(34)19-6-7-29-24(13-19)27(4,5)28;1-17(2)36-26-23(32-8-10-35-11-9-32)12-20(15-30-26)22-14-21(16-29-18(22)3)31-25(33)19-6-7-28-24(13-19)27(4,5)34;1-16(2)36-25-23(33-7-9-35-10-8-33)11-18(14-31-25)21-13-20(15-30-17(21)3)32-24(34)22-12-19(5-6-29-22)26(4,27)28/h6-7,12-16,18H,8-11H2,1-5H3,(H,33,35);2*6-7,12-17H,8-11H2,1-5H3,(H,32,34);6-7,12-17,34H,8-11H2,1-5H3,(H,31,33);5-6,11-16H,7-10H2,1-4H3,(H,32,34) |
| InChIKey | BIHWWJPSRIWSPE-UHFFFAOYSA-N |
| XLogP | 23.17 |
| TPSA | 491.37 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 37 |
| Rotatable Bonds | 35 |
| Heavy Atoms | 181 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2476.91 |
| LogP ≤ 5 | 23.17 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 37 |