C150H156F2N26O17 — CID 159974930
1-(3,3-difluoroazetidin-1-yl)-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propan-1-one;N,N-dimethyl-2-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]cyclopropane-1-carboxamide;1-morpholin-4-yl-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propan-1-one;1-piperidin-1-yl-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propan-1-one;3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]cyclohexane-1-carboxylic acid;2-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]cyclopropane-1-carboxylic acid;3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 159974930) has the molecular formula C150H156F2N26O17 and a molecular weight of 2633.06 g/mol. Its IUPAC name is 1-(3,3-difluoroazetidin-1-yl)-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propan-1-one;N,N-dimethyl-2-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]cyclopropane-1-carboxamide;1-morpholin-4-yl-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propan-1-one;1-piperidin-1-yl-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propan-1-one;3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]cyclohexane-1-carboxylic acid;2-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]cyclopropane-1-carboxylic acid;3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]-1-pyrrolidin-1-ylpropan-1-one.
| Compound Name | 1-(3,3-difluoroazetidin-1-yl)-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propan-1-one;N,N-dimethyl-2-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]cyclopropane-1-carboxamide;1-morpholin-4-yl-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propan-1-one;1-piperidin-1-yl-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propan-1-one;3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]cyclohexane-1-carboxylic acid;2-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]cyclopropane-1-carboxylic acid;3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]-1-pyrrolidin-1-ylpropan-1-one |
|---|---|
| PubChem CID | 159974930 |
| Molecular Formula | C150H156F2N26O17 |
| Molecular Weight | 2633.06 g/mol |
| Exact Mass | 2631.21 |
| IUPAC Name | 1-(3,3-difluoroazetidin-1-yl)-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propan-1-one;N,N-dimethyl-2-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]cyclopropane-1-carboxamide;1-morpholin-4-yl-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propan-1-one;1-piperidin-1-yl-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propan-1-one;3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]cyclohexane-1-carboxylic acid;2-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]cyclopropane-1-carboxylic acid;3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]-1-pyrrolidin-1-ylpropan-1-one |
| SMILES | CN(C)C(=O)C1CC1c1cccc(COc2ccc(-c3ccn[nH]3)nc2)c1.O=C(CCc1cccc(COc2ccc(-c3ccn[nH]3)nc2)c1)N1CC(F)(F)C1.O=C(CCc1cccc(COc2ccc(-c3ccn[nH]3)nc2)c1)N1CCCC1.O=C(CCc1cccc(COc2ccc(-c3ccn[nH]3)nc2)c1)N1CCCCC1.O=C(CCc1cccc(COc2ccc(-c3ccn[nH]3)nc2)c1)N1CCOCC1.O=C(O)C1CC1c1cccc(COc2ccc(-c3ccn[nH]3)nc2)c1.O=C(O)C1CCCC(c2cccc(COc3ccc(-c4ccn[nH]4)nc3)c2)C1 |
| InChI | InChI=1S/C23H26N4O2.C22H24N4O3.C22H24N4O2.C22H23N3O3.C21H20F2N4O2.C21H22N4O2.C19H17N3O3/c28-23(27-13-2-1-3-14-27)10-7-18-5-4-6-19(15-18)17-29-20-8-9-21(24-16-20)22-11-12-25-26-22;27-22(26-10-12-28-13-11-26)7-4-17-2-1-3-18(14-17)16-29-19-5-6-20(23-15-19)21-8-9-24-25-21;27-22(26-12-1-2-13-26)9-6-17-4-3-5-18(14-17)16-28-19-7-8-20(23-15-19)21-10-11-24-25-21;26-22(27)18-6-2-5-17(12-18)16-4-1-3-15(11-16)14-28-19-7-8-20(23-13-19)21-9-10-24-25-21;22-21(23)13-27(14-21)20(28)7-4-15-2-1-3-16(10-15)12-29-17-5-6-18(24-11-17)19-8-9-25-26-19;1-25(2)21(26)18-11-17(18)15-5-3-4-14(10-15)13-27-16-6-7-19(22-12-16)20-8-9-23-24-20;23-19(24)16-9-15(16)13-3-1-2-12(8-13)11-25-14-4-5-17(20-10-14)18-6-7-21-22-18/h4-6,8-9,11-12,15-16H,1-3,7,10,13-14,17H2,(H,25,26);1-3,5-6,8-9,14-15H,4,7,10-13,16H2,(H,24,25);3-5,7-8,10-11,14-15H,1-2,6,9,12-13,16H2,(H,24,25);1,3-4,7-11,13,17-18H,2,5-6,12,14H2,(H,24,25)(H,26,27);1-3,5-6,8-11H,4,7,12-14H2,(H,25,26);3-10,12,17-18H,11,13H2,1-2H3,(H,23,24);1-8,10,15-16H,9,11H2,(H,21,22)(H,23,24) |
| InChIKey | OFAJHNRKGGBWAN-UHFFFAOYSA-N |
| XLogP | 24.79 |
| TPSA | 540.98 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 29 |
| Rotatable Bonds | 46 |
| Heavy Atoms | 195 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2633.06 |
| LogP ≤ 5 | 24.79 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 29 |