C121H113F16N17O20 — CID 158646354
2-(1,1-difluoroethyl)-N-[3-[2-(3-fluorooxetan-3-yl)-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(difluoromethyl)-N-[3-[2-(3-fluorooxetan-3-yl)-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[4-(3-fluorooxetan-3-yl)-6-(2-hydroxyethoxy)-2-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[5-[2-(3-fluorooxetan-3-yl)-6-(2-hydroxyethoxy)-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;N-[5-[2-(3-fluorooxetan-3-yl)-6-(2-hydroxyethoxy)-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 158646354) has the molecular formula C121H113F16N17O20 and a molecular weight of 2429.30 g/mol. Its IUPAC name is 2-(1,1-difluoroethyl)-N-[3-[2-(3-fluorooxetan-3-yl)-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(difluoromethyl)-N-[3-[2-(3-fluorooxetan-3-yl)-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[4-(3-fluorooxetan-3-yl)-6-(2-hydroxyethoxy)-2-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[5-[2-(3-fluorooxetan-3-yl)-6-(2-hydroxyethoxy)-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;N-[5-[2-(3-fluorooxetan-3-yl)-6-(2-hydroxyethoxy)-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide.
| Compound Name | 2-(1,1-difluoroethyl)-N-[3-[2-(3-fluorooxetan-3-yl)-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(difluoromethyl)-N-[3-[2-(3-fluorooxetan-3-yl)-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[4-(3-fluorooxetan-3-yl)-6-(2-hydroxyethoxy)-2-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[5-[2-(3-fluorooxetan-3-yl)-6-(2-hydroxyethoxy)-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;N-[5-[2-(3-fluorooxetan-3-yl)-6-(2-hydroxyethoxy)-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide |
|---|---|
| PubChem CID | 158646354 |
| Molecular Formula | C121H113F16N17O20 |
| Molecular Weight | 2429.30 g/mol |
| Exact Mass | 2427.81 |
| IUPAC Name | 2-(1,1-difluoroethyl)-N-[3-[2-(3-fluorooxetan-3-yl)-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(difluoromethyl)-N-[3-[2-(3-fluorooxetan-3-yl)-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[4-(3-fluorooxetan-3-yl)-6-(2-hydroxyethoxy)-2-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[5-[2-(3-fluorooxetan-3-yl)-6-(2-hydroxyethoxy)-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;N-[5-[2-(3-fluorooxetan-3-yl)-6-(2-hydroxyethoxy)-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide |
| SMILES | Cc1ccc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1cc(OCCO)nc(C2(F)COC2)c1.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(C2(F)COC2)cc(OCCO)n1.Cc1ccc(NC(=O)c2ccnc(C(F)F)c2)cc1-c1cc(OCCO)nc(C2(F)COC2)c1.Cc1ncc(NC(=O)c2ccnc(C(C)(C)F)c2)cc1-c1cc(OCCO)nc(C2(F)COC2)c1.Cc1ncc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(OCCO)nc(C2(F)COC2)c1 |
| InChI | InChI=1S/C25H24F3N3O4.C25H26F2N4O4.C24H21F4N3O4.C24H22F3N3O4.C23H20F4N4O4/c1-15-3-4-18(30-23(33)16-5-6-29-20(9-16)24(2,26)27)12-19(15)17-10-21(25(28)13-34-14-25)31-22(11-17)35-8-7-32;1-15-19(17-9-21(25(27)13-34-14-25)31-22(10-17)35-7-6-32)11-18(12-29-15)30-23(33)16-4-5-28-20(8-16)24(2,3)26;1-14-2-3-17(30-22(33)15-4-5-29-20(8-15)24(26,27)28)11-18(14)19-9-16(23(25)12-34-13-23)10-21(31-19)35-7-6-32;1-14-2-3-17(29-23(32)15-4-5-28-19(8-15)22(25)26)11-18(14)16-9-20(24(27)12-33-13-24)30-21(10-16)34-7-6-31;1-13-17(15-7-18(22(24)11-34-12-22)31-20(8-15)35-5-4-32)9-16(10-29-13)30-21(33)14-2-3-28-19(6-14)23(25,26)27/h3-6,9-12,32H,7-8,13-14H2,1-2H3,(H,30,33);4-5,8-12,32H,6-7,13-14H2,1-3H3,(H,30,33);2-5,8-11,32H,6-7,12-13H2,1H3,(H,30,33);2-5,8-11,22,31H,6-7,12-13H2,1H3,(H,29,32);2-3,6-10,32H,4-5,11-12H2,1H3,(H,30,33) |
| InChIKey | IBACMUGASYQUCK-UHFFFAOYSA-N |
| XLogP | 20.43 |
| TPSA | 493.63 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 32 |
| Rotatable Bonds | 38 |
| Heavy Atoms | 174 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2429.30 |
| LogP ≤ 5 | 20.43 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 32 |