C131H177Cl2N21O9 — CID 159323784
5-chloro-1-(1-cyclopropyl-3-methylpyrazol-4-yl)-3-(2-methylpropyl)pyridin-2-one;5-chloro-3-(2-methylpropyl)-1-(2-methylpyrimidin-4-yl)pyridin-2-one;1-(2,5-dimethylpyrazol-3-yl)-3-(2-methylpropyl)pyridin-2-one;2-[(3S)-3-methoxypyrrolidin-1-yl]-6-methyl-4-(2-methylpropyl)pyridine;(1S)-3-[6-methyl-4-(2-methylpropyl)-2-pyridinyl]cyclohexan-1-ol;2-methyl-4-(2-methylpropyl)-6-pyrrolidin-1-ylpyridine;1-(2-methyl-1,3-oxazol-5-yl)-3-(2-methylpropyl)pyridin-2-one;3-(2-methylpropyl)-1-(6-methyl-3-pyridinyl)pyridin-2-one;3-(2-methylpropyl)-1-(2-methylpyrimidin-4-yl)pyridin-2-one (PubChem CID 159323784) has the molecular formula C131H177Cl2N21O9 and a molecular weight of 2260.90 g/mol. Its IUPAC name is 5-chloro-1-(1-cyclopropyl-3-methylpyrazol-4-yl)-3-(2-methylpropyl)pyridin-2-one;5-chloro-3-(2-methylpropyl)-1-(2-methylpyrimidin-4-yl)pyridin-2-one;1-(2,5-dimethylpyrazol-3-yl)-3-(2-methylpropyl)pyridin-2-one;2-[(3S)-3-methoxypyrrolidin-1-yl]-6-methyl-4-(2-methylpropyl)pyridine;(1S)-3-[6-methyl-4-(2-methylpropyl)-2-pyridinyl]cyclohexan-1-ol;2-methyl-4-(2-methylpropyl)-6-pyrrolidin-1-ylpyridine;1-(2-methyl-1,3-oxazol-5-yl)-3-(2-methylpropyl)pyridin-2-one;3-(2-methylpropyl)-1-(6-methyl-3-pyridinyl)pyridin-2-one;3-(2-methylpropyl)-1-(2-methylpyrimidin-4-yl)pyridin-2-one.
| Compound Name | 5-chloro-1-(1-cyclopropyl-3-methylpyrazol-4-yl)-3-(2-methylpropyl)pyridin-2-one;5-chloro-3-(2-methylpropyl)-1-(2-methylpyrimidin-4-yl)pyridin-2-one;1-(2,5-dimethylpyrazol-3-yl)-3-(2-methylpropyl)pyridin-2-one;2-[(3S)-3-methoxypyrrolidin-1-yl]-6-methyl-4-(2-methylpropyl)pyridine;(1S)-3-[6-methyl-4-(2-methylpropyl)-2-pyridinyl]cyclohexan-1-ol;2-methyl-4-(2-methylpropyl)-6-pyrrolidin-1-ylpyridine;1-(2-methyl-1,3-oxazol-5-yl)-3-(2-methylpropyl)pyridin-2-one;3-(2-methylpropyl)-1-(6-methyl-3-pyridinyl)pyridin-2-one;3-(2-methylpropyl)-1-(2-methylpyrimidin-4-yl)pyridin-2-one |
|---|---|
| PubChem CID | 159323784 |
| Molecular Formula | C131H177Cl2N21O9 |
| Molecular Weight | 2260.90 g/mol |
| Exact Mass | 2258.34 |
| IUPAC Name | 5-chloro-1-(1-cyclopropyl-3-methylpyrazol-4-yl)-3-(2-methylpropyl)pyridin-2-one;5-chloro-3-(2-methylpropyl)-1-(2-methylpyrimidin-4-yl)pyridin-2-one;1-(2,5-dimethylpyrazol-3-yl)-3-(2-methylpropyl)pyridin-2-one;2-[(3S)-3-methoxypyrrolidin-1-yl]-6-methyl-4-(2-methylpropyl)pyridine;(1S)-3-[6-methyl-4-(2-methylpropyl)-2-pyridinyl]cyclohexan-1-ol;2-methyl-4-(2-methylpropyl)-6-pyrrolidin-1-ylpyridine;1-(2-methyl-1,3-oxazol-5-yl)-3-(2-methylpropyl)pyridin-2-one;3-(2-methylpropyl)-1-(6-methyl-3-pyridinyl)pyridin-2-one;3-(2-methylpropyl)-1-(2-methylpyrimidin-4-yl)pyridin-2-one |
| SMILES | CO[C@H]1CCN(c2cc(CC(C)C)cc(C)n2)C1.Cc1cc(-n2cccc(CC(C)C)c2=O)n(C)n1.Cc1cc(CC(C)C)cc(C2CCC[C@H](O)C2)n1.Cc1cc(CC(C)C)cc(N2CCCC2)n1.Cc1ccc(-n2cccc(CC(C)C)c2=O)cn1.Cc1ncc(-n2cccc(CC(C)C)c2=O)o1.Cc1nccc(-n2cc(Cl)cc(CC(C)C)c2=O)n1.Cc1nccc(-n2cccc(CC(C)C)c2=O)n1.Cc1nn(C2CC2)cc1-n1cc(Cl)cc(CC(C)C)c1=O |
| InChI | InChI=1S/C16H20ClN3O.C16H25NO.C15H24N2O.C15H18N2O.C14H16ClN3O.C14H19N3O.C14H17N3O.C14H22N2.C13H16N2O2/c1-10(2)6-12-7-13(17)8-19(16(12)21)15-9-20(14-4-5-14)18-11(15)3;1-11(2)7-13-8-12(3)17-16(9-13)14-5-4-6-15(18)10-14;1-11(2)7-13-8-12(3)16-15(9-13)17-6-5-14(10-17)18-4;1-11(2)9-13-5-4-8-17(15(13)18)14-7-6-12(3)16-10-14;1-9(2)6-11-7-12(15)8-18(14(11)19)13-4-5-16-10(3)17-13;1-10(2)8-12-6-5-7-17(14(12)18)13-9-11(3)15-16(13)4;1-10(2)9-12-5-4-8-17(14(12)18)13-6-7-15-11(3)16-13;1-11(2)8-13-9-12(3)15-14(10-13)16-6-4-5-7-16;1-9(2)7-11-5-4-6-15(13(11)16)12-8-14-10(3)17-12/h7-10,14H,4-6H2,1-3H3;8-9,11,14-15,18H,4-7,10H2,1-3H3;8-9,11,14H,5-7,10H2,1-4H3;4-8,10-11H,9H2,1-3H3;4-5,7-9H,6H2,1-3H3;5-7,9-10H,8H2,1-4H3;4-8,10H,9H2,1-3H3;9-11H,4-8H2,1-3H3;4-6,8-9H,7H2,1-3H3/t;14?,15-;14-;;;;;;/m.00....../s1 |
| InChIKey | LECFMNLXJLEROL-RQZISCDYSA-N |
| XLogP | 25.21 |
| TPSA | 332.73 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 30 |
| Rotatable Bonds | 29 |
| Heavy Atoms | 163 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2260.90 |
| LogP ≤ 5 | 25.21 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 30 |