C85H122ClN23O2 — CID 159005214
N-benzyl-N-methyl-5-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]pyridin-2-amine;N-[[5-(5-chloro-3-pyridinyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-(2-methylpropyl)-5-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]pyridin-2-amine;N-methyl-N-[[5-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrazol-4-yl]methyl]propan-1-amine;N-methyl-N-[[5-(6-propan-2-yloxy-3-pyridinyl)-1H-pyrazol-4-yl]methyl]propan-1-amine (PubChem CID 159005214) has the molecular formula C85H122ClN23O2 and a molecular weight of 1533.52 g/mol. Its IUPAC name is N-benzyl-N-methyl-5-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]pyridin-2-amine;N-[[5-(5-chloro-3-pyridinyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-(2-methylpropyl)-5-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]pyridin-2-amine;N-methyl-N-[[5-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrazol-4-yl]methyl]propan-1-amine;N-methyl-N-[[5-(6-propan-2-yloxy-3-pyridinyl)-1H-pyrazol-4-yl]methyl]propan-1-amine.
| Compound Name | N-benzyl-N-methyl-5-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]pyridin-2-amine;N-[[5-(5-chloro-3-pyridinyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-(2-methylpropyl)-5-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]pyridin-2-amine;N-methyl-N-[[5-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrazol-4-yl]methyl]propan-1-amine;N-methyl-N-[[5-(6-propan-2-yloxy-3-pyridinyl)-1H-pyrazol-4-yl]methyl]propan-1-amine |
|---|---|
| PubChem CID | 159005214 |
| Molecular Formula | C85H122ClN23O2 |
| Molecular Weight | 1533.52 g/mol |
| Exact Mass | 1531.98 |
| IUPAC Name | N-benzyl-N-methyl-5-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]pyridin-2-amine;N-[[5-(5-chloro-3-pyridinyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-(2-methylpropyl)-5-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]pyridin-2-amine;N-methyl-N-[[5-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrazol-4-yl]methyl]propan-1-amine;N-methyl-N-[[5-(6-propan-2-yloxy-3-pyridinyl)-1H-pyrazol-4-yl]methyl]propan-1-amine |
| SMILES | CCCN(C)Cc1cn[nH]c1-c1ccc(N(C)CC(C)C)nc1.CCCN(C)Cc1cn[nH]c1-c1ccc(N(C)Cc2ccccc2)nc1.CCCN(C)Cc1cn[nH]c1-c1ccc(N2CCOCC2)nc1.CCCN(C)Cc1cn[nH]c1-c1ccc(OC(C)C)nc1.CCCN(C)Cc1cn[nH]c1-c1cncc(Cl)c1 |
| InChI | InChI=1S/C21H27N5.C18H29N5.C17H25N5O.C16H24N4O.C13H17ClN4/c1-4-12-25(2)16-19-14-23-24-21(19)18-10-11-20(22-13-18)26(3)15-17-8-6-5-7-9-17;1-6-9-22(4)13-16-11-20-21-18(16)15-7-8-17(19-10-15)23(5)12-14(2)3;1-3-6-21(2)13-15-12-19-20-17(15)14-4-5-16(18-11-14)22-7-9-23-10-8-22;1-5-8-20(4)11-14-10-18-19-16(14)13-6-7-15(17-9-13)21-12(2)3;1-3-4-18(2)9-11-7-16-17-13(11)10-5-12(14)8-15-6-10/h5-11,13-14H,4,12,15-16H2,1-3H3,(H,23,24);7-8,10-11,14H,6,9,12-13H2,1-5H3,(H,20,21);4-5,11-12H,3,6-10,13H2,1-2H3,(H,19,20);6-7,9-10,12H,5,8,11H2,1-4H3,(H,18,19);5-8H,3-4,9H2,1-2H3,(H,16,17) |
| InChIKey | JRVJAXDSNFEBMQ-UHFFFAOYSA-N |
| XLogP | 15.57 |
| TPSA | 252.23 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 34 |
| Heavy Atoms | 111 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1533.52 |
| LogP ≤ 5 | 15.57 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 20 |