C119H138F4N28O15S — CID 158491025
N-[2-(4,4-difluoropiperidin-1-yl)-4-morpholin-4-ylphenyl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;N-[2-(4,4-difluoropiperidin-1-yl)-4-morpholin-4-ylphenyl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;N-[2-(4-hydroxy-4-methylpiperidin-1-yl)-4-morpholin-4-ylphenyl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;N-[2-(4-hydroxy-4-methylpiperidin-1-yl)-4-morpholin-4-ylphenyl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;N-[2-(4-hydroxy-4-methylpiperidin-1-yl)-4-morpholin-4-ylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 158491025) has the molecular formula C119H138F4N28O15S and a molecular weight of 2308.65 g/mol. Its IUPAC name is N-[2-(4,4-difluoropiperidin-1-yl)-4-morpholin-4-ylphenyl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;N-[2-(4,4-difluoropiperidin-1-yl)-4-morpholin-4-ylphenyl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;N-[2-(4-hydroxy-4-methylpiperidin-1-yl)-4-morpholin-4-ylphenyl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;N-[2-(4-hydroxy-4-methylpiperidin-1-yl)-4-morpholin-4-ylphenyl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;N-[2-(4-hydroxy-4-methylpiperidin-1-yl)-4-morpholin-4-ylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide.
| Compound Name | N-[2-(4,4-difluoropiperidin-1-yl)-4-morpholin-4-ylphenyl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;N-[2-(4,4-difluoropiperidin-1-yl)-4-morpholin-4-ylphenyl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;N-[2-(4-hydroxy-4-methylpiperidin-1-yl)-4-morpholin-4-ylphenyl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;N-[2-(4-hydroxy-4-methylpiperidin-1-yl)-4-morpholin-4-ylphenyl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;N-[2-(4-hydroxy-4-methylpiperidin-1-yl)-4-morpholin-4-ylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide |
|---|---|
| PubChem CID | 158491025 |
| Molecular Formula | C119H138F4N28O15S |
| Molecular Weight | 2308.65 g/mol |
| Exact Mass | 2307.06 |
| IUPAC Name | N-[2-(4,4-difluoropiperidin-1-yl)-4-morpholin-4-ylphenyl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;N-[2-(4,4-difluoropiperidin-1-yl)-4-morpholin-4-ylphenyl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;N-[2-(4-hydroxy-4-methylpiperidin-1-yl)-4-morpholin-4-ylphenyl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;N-[2-(4-hydroxy-4-methylpiperidin-1-yl)-4-morpholin-4-ylphenyl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;N-[2-(4-hydroxy-4-methylpiperidin-1-yl)-4-morpholin-4-ylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide |
| SMILES | CC1(O)CCN(c2cc(N3CCOCC3)ccc2NC(=O)c2ccc(-c3cn[nH]c3)o2)CC1.CC1(O)CCN(c2cc(N3CCOCC3)ccc2NC(=O)c2cccc(-c3cn[nH]c3)n2)CC1.CC1(O)CCN(c2cc(N3CCOCC3)ccc2NC(=O)c2csc(-c3cn[nH]c3)n2)CC1.O=C(Nc1ccc(N2CCOCC2)cc1N1CCC(F)(F)CC1)c1ccc(-c2cn[nH]c2)o1.O=C(Nc1ccc(N2CCOCC2)cc1N1CCC(F)(F)CC1)c1cccc(-c2cn[nH]c2)n1 |
| InChI | InChI=1S/C25H30N6O3.C24H26F2N6O2.C24H29N5O4.C23H25F2N5O3.C23H28N6O3S/c1-25(33)7-9-31(10-8-25)23-15-19(30-11-13-34-14-12-30)5-6-21(23)29-24(32)22-4-2-3-20(28-22)18-16-26-27-17-18;25-24(26)6-8-32(9-7-24)22-14-18(31-10-12-34-13-11-31)4-5-20(22)30-23(33)21-3-1-2-19(29-21)17-15-27-28-16-17;1-24(31)6-8-29(9-7-24)20-14-18(28-10-12-32-13-11-28)2-3-19(20)27-23(30)22-5-4-21(33-22)17-15-25-26-16-17;24-23(25)5-7-30(8-6-23)19-13-17(29-9-11-32-12-10-29)1-2-18(19)28-22(31)21-4-3-20(33-21)16-14-26-27-15-16;1-23(31)4-6-29(7-5-23)20-12-17(28-8-10-32-11-9-28)2-3-18(20)26-21(30)19-15-33-22(27-19)16-13-24-25-14-16/h2-6,15-17,33H,7-14H2,1H3,(H,26,27)(H,29,32);1-5,14-16H,6-13H2,(H,27,28)(H,30,33);2-5,14-16,31H,6-13H2,1H3,(H,25,26)(H,27,30);1-4,13-15H,5-12H2,(H,26,27)(H,28,31);2-3,12-15,31H,4-11H2,1H3,(H,24,25)(H,26,30) |
| InChIKey | HIRSBWKCKCGFIS-UHFFFAOYSA-N |
| XLogP | 16.79 |
| TPSA | 493.09 Ų |
| H-Bond Donors | 13 |
| H-Bond Acceptors | 34 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 167 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2308.65 |
| LogP ≤ 5 | 16.79 |
| H-Bond Donors ≤ 5 | 13 |
| H-Bond Acceptors ≤ 10 | 34 |