C68H90Cl4N18O4 — CID 162067357
4-aminocyclohexan-1-ol;4-chloro-N-cyclohex-3-en-1-yl-6-(3-methylpyrazol-1-yl)pyridin-2-amine;4-[[4-chloro-6-(3-methylpyrazol-1-yl)-2-pyridinyl]amino]cyclohexan-1-ol;N-cyclohex-3-en-1-yl-6-(3-methylpyrazol-1-yl)-4-morpholin-4-ylpyridin-2-amine;2,4-dichloro-6-(3-methylpyrazol-1-yl)pyridine;morpholine (PubChem CID 162067357) has the molecular formula C68H90Cl4N18O4 and a molecular weight of 1365.40 g/mol. Its IUPAC name is 4-aminocyclohexan-1-ol;4-chloro-N-cyclohex-3-en-1-yl-6-(3-methylpyrazol-1-yl)pyridin-2-amine;4-[[4-chloro-6-(3-methylpyrazol-1-yl)-2-pyridinyl]amino]cyclohexan-1-ol;N-cyclohex-3-en-1-yl-6-(3-methylpyrazol-1-yl)-4-morpholin-4-ylpyridin-2-amine;2,4-dichloro-6-(3-methylpyrazol-1-yl)pyridine;morpholine.
| Compound Name | 4-aminocyclohexan-1-ol;4-chloro-N-cyclohex-3-en-1-yl-6-(3-methylpyrazol-1-yl)pyridin-2-amine;4-[[4-chloro-6-(3-methylpyrazol-1-yl)-2-pyridinyl]amino]cyclohexan-1-ol;N-cyclohex-3-en-1-yl-6-(3-methylpyrazol-1-yl)-4-morpholin-4-ylpyridin-2-amine;2,4-dichloro-6-(3-methylpyrazol-1-yl)pyridine;morpholine |
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| PubChem CID | 162067357 |
| Molecular Formula | C68H90Cl4N18O4 |
| Molecular Weight | 1365.40 g/mol |
| Exact Mass | 1362.61 |
| IUPAC Name | 4-aminocyclohexan-1-ol;4-chloro-N-cyclohex-3-en-1-yl-6-(3-methylpyrazol-1-yl)pyridin-2-amine;4-[[4-chloro-6-(3-methylpyrazol-1-yl)-2-pyridinyl]amino]cyclohexan-1-ol;N-cyclohex-3-en-1-yl-6-(3-methylpyrazol-1-yl)-4-morpholin-4-ylpyridin-2-amine;2,4-dichloro-6-(3-methylpyrazol-1-yl)pyridine;morpholine |
| SMILES | C1COCCN1.Cc1ccn(-c2cc(Cl)cc(Cl)n2)n1.Cc1ccn(-c2cc(Cl)cc(NC3CC=CCC3)n2)n1.Cc1ccn(-c2cc(Cl)cc(NC3CCC(O)CC3)n2)n1.Cc1ccn(-c2cc(N3CCOCC3)cc(NC3CC=CCC3)n2)n1.NC1CCC(O)CC1 |
| InChI | InChI=1S/C19H25N5O.C15H19ClN4O.C15H17ClN4.C9H7Cl2N3.C6H13NO.C4H9NO/c1-15-7-8-24(22-15)19-14-17(23-9-11-25-12-10-23)13-18(21-19)20-16-5-3-2-4-6-16;1-10-6-7-20(19-10)15-9-11(16)8-14(18-15)17-12-2-4-13(21)5-3-12;1-11-7-8-20(19-11)15-10-12(16)9-14(18-15)17-13-5-3-2-4-6-13;1-6-2-3-14(13-6)9-5-7(10)4-8(11)12-9;7-5-1-3-6(8)4-2-5;1-3-6-4-2-5-1/h2-3,7-8,13-14,16H,4-6,9-12H2,1H3,(H,20,21);6-9,12-13,21H,2-5H2,1H3,(H,17,18);2-3,7-10,13H,4-6H2,1H3,(H,17,18);2-5H,1H3;5-6,8H,1-4,7H2;5H,1-4H2 |
| InChIKey | ZAQATIWHEHAHDT-UHFFFAOYSA-N |
| XLogP | 12.36 |
| TPSA | 259.14 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 22 |
| Rotatable Bonds | 11 |
| Heavy Atoms | 94 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1365.40 |
| LogP ≤ 5 | 12.36 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 22 |
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
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