C72H95Cl2F3N22O — CID 158847252
N-[[5-(6-chloro-5-methyl-3-pyridinyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(5-chloro-3-pyridinyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-[[5-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrazol-4-yl]methyl]propan-1-amine;5-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]pyridine-3-carbonitrile;N-methyl-N-[[5-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyrazol-4-yl]methyl]propan-1-amine (PubChem CID 158847252) has the molecular formula C72H95Cl2F3N22O and a molecular weight of 1412.60 g/mol. Its IUPAC name is N-[[5-(6-chloro-5-methyl-3-pyridinyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(5-chloro-3-pyridinyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-[[5-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrazol-4-yl]methyl]propan-1-amine;5-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]pyridine-3-carbonitrile;N-methyl-N-[[5-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyrazol-4-yl]methyl]propan-1-amine.
| Compound Name | N-[[5-(6-chloro-5-methyl-3-pyridinyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(5-chloro-3-pyridinyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-[[5-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrazol-4-yl]methyl]propan-1-amine;5-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]pyridine-3-carbonitrile;N-methyl-N-[[5-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyrazol-4-yl]methyl]propan-1-amine |
|---|---|
| PubChem CID | 158847252 |
| Molecular Formula | C72H95Cl2F3N22O |
| Molecular Weight | 1412.60 g/mol |
| Exact Mass | 1410.74 |
| IUPAC Name | N-[[5-(6-chloro-5-methyl-3-pyridinyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(5-chloro-3-pyridinyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-[[5-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrazol-4-yl]methyl]propan-1-amine;5-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]pyridine-3-carbonitrile;N-methyl-N-[[5-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyrazol-4-yl]methyl]propan-1-amine |
| SMILES | CCCN(C)Cc1cn[nH]c1-c1ccc(C(F)(F)F)nc1.CCCN(C)Cc1cn[nH]c1-c1ccc(N2CCOCC2)nc1.CCCN(C)Cc1cn[nH]c1-c1cnc(Cl)c(C)c1.CCCN(C)Cc1cn[nH]c1-c1cncc(C#N)c1.CCCN(C)Cc1cn[nH]c1-c1cncc(Cl)c1 |
| InChI | InChI=1S/C17H25N5O.C14H19ClN4.C14H17F3N4.C14H17N5.C13H17ClN4/c1-3-6-21(2)13-15-12-19-20-17(15)14-4-5-16(18-11-14)22-7-9-23-10-8-22;1-4-5-19(3)9-12-8-17-18-13(12)11-6-10(2)14(15)16-7-11;1-3-6-21(2)9-11-8-19-20-13(11)10-4-5-12(18-7-10)14(15,16)17;1-3-4-19(2)10-13-9-17-18-14(13)12-5-11(6-15)7-16-8-12;1-3-4-18(2)9-11-7-16-17-13(11)10-5-12(14)8-15-6-10/h4-5,11-12H,3,6-10,13H2,1-2H3,(H,19,20);6-8H,4-5,9H2,1-3H3,(H,17,18);4-5,7-8H,3,6,9H2,1-2H3,(H,19,20);5,7-9H,3-4,10H2,1-2H3,(H,17,18);5-8H,3-4,9H2,1-2H3,(H,16,17) |
| InChIKey | IYZIVSOYFVLLLL-UHFFFAOYSA-N |
| XLogP | 13.91 |
| TPSA | 260.31 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 100 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1412.60 |
| LogP ≤ 5 | 13.91 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 18 |
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'} |
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