C133H145F6N21O20 — CID 158300407
2-(2-cyanopropan-2-yl)-N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-cyclopropyl-N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-5-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 158300407) has the molecular formula C133H145F6N21O20 and a molecular weight of 2471.74 g/mol. Its IUPAC name is 2-(2-cyanopropan-2-yl)-N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-cyclopropyl-N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-5-(trifluoromethyl)pyridine-3-carboxamide.
| Compound Name | 2-(2-cyanopropan-2-yl)-N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-cyclopropyl-N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-5-(trifluoromethyl)pyridine-3-carboxamide |
|---|---|
| PubChem CID | 158300407 |
| Molecular Formula | C133H145F6N21O20 |
| Molecular Weight | 2471.74 g/mol |
| Exact Mass | 2470.09 |
| IUPAC Name | 2-(2-cyanopropan-2-yl)-N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-cyclopropyl-N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-5-(trifluoromethyl)pyridine-3-carboxamide |
| SMILES | Cc1ccc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cnc(OCCO)c(N2CCOCC2)c1.Cc1ccc(NC(=O)c2ccnc(C(C)(C)F)c2)cc1-c1cnc(OCCO)c(N2CCOCC2)c1.Cc1ccc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1cnc(OCCO)c(N2CCOCC2)c1.Cc1ccc(NC(=O)c2ccnc(C3CC3)c2)cc1-c1cnc(OCCO)c(N2CCOCC2)c1.Cc1ccc(NC(=O)c2cncc(C(F)(F)F)c2)cc1-c1cnc(OCCO)c(N2CCOCC2)c1 |
| InChI | InChI=1S/C28H31N5O4.C27H31FN4O4.C27H30N4O4.C26H28F2N4O4.C25H25F3N4O4/c1-19-4-5-22(32-26(35)20-6-7-30-25(15-20)28(2,3)18-29)16-23(19)21-14-24(33-8-11-36-12-9-33)27(31-17-21)37-13-10-34;1-18-4-5-21(31-25(34)19-6-7-29-24(15-19)27(2,3)28)16-22(18)20-14-23(32-8-11-35-12-9-32)26(30-17-20)36-13-10-33;1-18-2-5-22(30-26(33)20-6-7-28-24(14-20)19-3-4-19)16-23(18)21-15-25(31-8-11-34-12-9-31)27(29-17-21)35-13-10-32;1-17-3-4-20(31-24(34)18-5-6-29-23(14-18)26(2,27)28)15-21(17)19-13-22(32-7-10-35-11-8-32)25(30-16-19)36-12-9-33;1-16-2-3-20(31-23(34)18-10-19(15-29-13-18)25(26,27)28)12-21(16)17-11-22(32-4-7-35-8-5-32)24(30-14-17)36-9-6-33/h4-7,14-17,34H,8-13H2,1-3H3,(H,32,35);4-7,14-17,33H,8-13H2,1-3H3,(H,31,34);2,5-7,14-17,19,32H,3-4,8-13H2,1H3,(H,30,33);3-6,13-16,33H,7-12H2,1-2H3,(H,31,34);2-3,10-15,33H,4-9H2,1H3,(H,31,34) |
| InChIKey | GMKWTODAUGQGNH-UHFFFAOYSA-N |
| XLogP | 19.57 |
| TPSA | 507.84 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 36 |
| Rotatable Bonds | 39 |
| Heavy Atoms | 180 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2471.74 |
| LogP ≤ 5 | 19.57 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 36 |