C129H153N27O11 — CID 158010339
5-[4-[2-[(1-methylcyclopropyl)methyl]pyrimidin-5-yl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[4-methyl-6-(oxan-4-ylmethyl)-3-pyridinyl]pyrazol-1-yl]-1-(2-methylpropyl)pyridin-2-one;5-[4-[4-methyl-6-(oxan-4-ylmethyl)-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[4-methyl-6-(oxetan-3-ylmethyl)-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;1-(2-methylpropyl)-5-[4-[2-(oxan-4-ylmethyl)pyrimidin-5-yl]pyrazol-1-yl]pyridin-2-one;5-[4-[2-(oxetan-3-ylmethyl)pyrimidin-5-yl]pyrazol-1-yl]-1-propylpyridin-2-one (PubChem CID 158010339) has the molecular formula C129H153N27O11 and a molecular weight of 2257.82 g/mol. Its IUPAC name is 5-[4-[2-[(1-methylcyclopropyl)methyl]pyrimidin-5-yl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[4-methyl-6-(oxan-4-ylmethyl)-3-pyridinyl]pyrazol-1-yl]-1-(2-methylpropyl)pyridin-2-one;5-[4-[4-methyl-6-(oxan-4-ylmethyl)-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[4-methyl-6-(oxetan-3-ylmethyl)-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;1-(2-methylpropyl)-5-[4-[2-(oxan-4-ylmethyl)pyrimidin-5-yl]pyrazol-1-yl]pyridin-2-one;5-[4-[2-(oxetan-3-ylmethyl)pyrimidin-5-yl]pyrazol-1-yl]-1-propylpyridin-2-one.
| Compound Name | 5-[4-[2-[(1-methylcyclopropyl)methyl]pyrimidin-5-yl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[4-methyl-6-(oxan-4-ylmethyl)-3-pyridinyl]pyrazol-1-yl]-1-(2-methylpropyl)pyridin-2-one;5-[4-[4-methyl-6-(oxan-4-ylmethyl)-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[4-methyl-6-(oxetan-3-ylmethyl)-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;1-(2-methylpropyl)-5-[4-[2-(oxan-4-ylmethyl)pyrimidin-5-yl]pyrazol-1-yl]pyridin-2-one;5-[4-[2-(oxetan-3-ylmethyl)pyrimidin-5-yl]pyrazol-1-yl]-1-propylpyridin-2-one |
|---|---|
| PubChem CID | 158010339 |
| Molecular Formula | C129H153N27O11 |
| Molecular Weight | 2257.82 g/mol |
| Exact Mass | 2256.22 |
| IUPAC Name | 5-[4-[2-[(1-methylcyclopropyl)methyl]pyrimidin-5-yl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[4-methyl-6-(oxan-4-ylmethyl)-3-pyridinyl]pyrazol-1-yl]-1-(2-methylpropyl)pyridin-2-one;5-[4-[4-methyl-6-(oxan-4-ylmethyl)-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[4-methyl-6-(oxetan-3-ylmethyl)-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;1-(2-methylpropyl)-5-[4-[2-(oxan-4-ylmethyl)pyrimidin-5-yl]pyrazol-1-yl]pyridin-2-one;5-[4-[2-(oxetan-3-ylmethyl)pyrimidin-5-yl]pyrazol-1-yl]-1-propylpyridin-2-one |
| SMILES | CC(C)Cn1cc(-n2cc(-c3cnc(CC4CCOCC4)nc3)cn2)ccc1=O.CCCn1cc(-n2cc(-c3cnc(CC4(C)CC4)nc3)cn2)ccc1=O.CCCn1cc(-n2cc(-c3cnc(CC4CCOCC4)cc3C)cn2)ccc1=O.CCCn1cc(-n2cc(-c3cnc(CC4COC4)cc3C)cn2)ccc1=O.CCCn1cc(-n2cc(-c3cnc(CC4COC4)nc3)cn2)ccc1=O.Cc1cc(CC2CCOCC2)ncc1-c1cnn(-c2ccc(=O)n(CC(C)C)c2)c1 |
| InChI | InChI=1S/C24H30N4O2.C23H28N4O2.C22H27N5O2.C21H24N4O2.C20H23N5O.C19H21N5O2/c1-17(2)14-27-16-22(4-5-24(27)29)28-15-20(12-26-28)23-13-25-21(10-18(23)3)11-19-6-8-30-9-7-19;1-3-8-26-16-21(4-5-23(26)28)27-15-19(13-25-27)22-14-24-20(11-17(22)2)12-18-6-9-29-10-7-18;1-16(2)13-26-15-20(3-4-22(26)28)27-14-19(12-25-27)18-10-23-21(24-11-18)9-17-5-7-29-8-6-17;1-3-6-24-12-19(4-5-21(24)26)25-11-17(9-23-25)20-10-22-18(7-15(20)2)8-16-13-27-14-16;1-3-8-24-14-17(4-5-19(24)26)25-13-16(12-23-25)15-10-21-18(22-11-15)9-20(2)6-7-20;1-2-5-23-11-17(3-4-19(23)25)24-10-16(9-22-24)15-7-20-18(21-8-15)6-14-12-26-13-14/h4-5,10,12-13,15-17,19H,6-9,11,14H2,1-3H3;4-5,11,13-16,18H,3,6-10,12H2,1-2H3;3-4,10-12,14-17H,5-9,13H2,1-2H3;4-5,7,9-12,16H,3,6,8,13-14H2,1-2H3;4-5,10-14H,3,6-9H2,1-2H3;3-4,7-11,14H,2,5-6,12-13H2,1H3 |
| InChIKey | FEUQWGGUDUSNMI-UHFFFAOYSA-N |
| XLogP | 19.27 |
| TPSA | 401.08 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 38 |
| Rotatable Bonds | 36 |
| Heavy Atoms | 167 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2257.82 |
| LogP ≤ 5 | 19.27 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 38 |