C76H92Cl4K7N17O4 — CID 159723645
potassium;2-[2-[2-(2-chloro-5-methylpyrimidin-4-yl)ethyl]phenyl]propanamide;2-[2-[2-(2-chloro-5-methylpyrimidin-4-yl)ethynyl]phenyl]propanamide;2,4-dichloro-5-methylpyrimidine;2-(2-ethynylphenyl)propanamide;hydride;methane;2-[2-[2-[5-methyl-2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-yl]ethyl]phenyl]propanamide;1-methylpyrazol-4-amine;potassiopotassium (PubChem CID 159723645) has the molecular formula C76H92Cl4K7N17O4 and a molecular weight of 1723.18 g/mol. Its IUPAC name is potassium;2-[2-[2-(2-chloro-5-methylpyrimidin-4-yl)ethyl]phenyl]propanamide;2-[2-[2-(2-chloro-5-methylpyrimidin-4-yl)ethynyl]phenyl]propanamide;2,4-dichloro-5-methylpyrimidine;2-(2-ethynylphenyl)propanamide;hydride;methane;2-[2-[2-[5-methyl-2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-yl]ethyl]phenyl]propanamide;1-methylpyrazol-4-amine;potassiopotassium.
| Compound Name | potassium;2-[2-[2-(2-chloro-5-methylpyrimidin-4-yl)ethyl]phenyl]propanamide;2-[2-[2-(2-chloro-5-methylpyrimidin-4-yl)ethynyl]phenyl]propanamide;2,4-dichloro-5-methylpyrimidine;2-(2-ethynylphenyl)propanamide;hydride;methane;2-[2-[2-[5-methyl-2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-yl]ethyl]phenyl]propanamide;1-methylpyrazol-4-amine;potassiopotassium |
|---|---|
| PubChem CID | 159723645 |
| Molecular Formula | C76H92Cl4K7N17O4 |
| Molecular Weight | 1723.18 g/mol |
| Exact Mass | 1719.37 |
| IUPAC Name | potassium;2-[2-[2-(2-chloro-5-methylpyrimidin-4-yl)ethyl]phenyl]propanamide;2-[2-[2-(2-chloro-5-methylpyrimidin-4-yl)ethynyl]phenyl]propanamide;2,4-dichloro-5-methylpyrimidine;2-(2-ethynylphenyl)propanamide;hydride;methane;2-[2-[2-[5-methyl-2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-yl]ethyl]phenyl]propanamide;1-methylpyrazol-4-amine;potassiopotassium |
| SMILES | C.C.C.C#Cc1ccccc1C(C)C(N)=O.Cc1cnc(Cc2cnn(C)c2)nc1CCc1ccccc1C(C)C(N)=O.Cc1cnc(Cl)nc1C#Cc1ccccc1C(C)C(N)=O.Cc1cnc(Cl)nc1CCc1ccccc1C(C)C(N)=O.Cc1cnc(Cl)nc1Cl.Cn1cc(N)cn1.[H-].[K+].[K][K].[K][K].[K][K] |
| InChI | InChI=1S/C21H25N5O.C16H18ClN3O.C16H14ClN3O.C11H11NO.C5H4Cl2N2.C4H7N3.3CH4.7K.H/c1-14-11-23-20(10-16-12-24-26(3)13-16)25-19(14)9-8-17-6-4-5-7-18(17)15(2)21(22)27;2*1-10-9-19-16(17)20-14(10)8-7-12-5-3-4-6-13(12)11(2)15(18)21;1-3-9-6-4-5-7-10(9)8(2)11(12)13;1-3-2-8-5(7)9-4(3)6;1-7-3-4(5)2-6-7;;;;;;;;;;;/h4-7,11-13,15H,8-10H2,1-3H3,(H2,22,27);3-6,9,11H,7-8H2,1-2H3,(H2,18,21);3-6,9,11H,1-2H3,(H2,18,21);1,4-8H,2H3,(H2,12,13);2H,1H3;2-3H,5H2,1H3;3*1H4;;;;;;;;/q;;;;;;;;;;;;;;;+1;-1 |
| InChIKey | ALGOZUXVJFWZPS-UHFFFAOYSA-N |
| XLogP | 7.81 |
| TPSA | 337.14 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 17 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 108 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1723.18 |
| LogP ≤ 5 | 7.81 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 17 |
| Structural Alerts | {'alert_name': 'triple_bond', 'substructure': 'N/A'} |
|---|