C107H137Cl7N22O19S2 — CID 163857354
6-azaspiro[2.5]octane;4-(6-azaspiro[2.5]octan-6-yl)-6-chloro-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide;4-(6-azaspiro[2.5]octan-6-yl)-6-chloropyridine-3-carboxylic acid;4-(6-azaspiro[2.5]octan-6-yl)-6-(2-hydroxyethylsulfonylamino)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide;4,6-dichloropyridine-3-carboxylic acid;2-hydroxyethanesulfonamide;methyl 4-(6-azaspiro[2.5]octan-6-yl)-6-chloropyridine-3-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate;6-[(2R)-2-methylmorpholin-4-yl]pyridin-2-amine (PubChem CID 163857354) has the molecular formula C107H137Cl7N22O19S2 and a molecular weight of 2347.71 g/mol. Its IUPAC name is 6-azaspiro[2.5]octane;4-(6-azaspiro[2.5]octan-6-yl)-6-chloro-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide;4-(6-azaspiro[2.5]octan-6-yl)-6-chloropyridine-3-carboxylic acid;4-(6-azaspiro[2.5]octan-6-yl)-6-(2-hydroxyethylsulfonylamino)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide;4,6-dichloropyridine-3-carboxylic acid;2-hydroxyethanesulfonamide;methyl 4-(6-azaspiro[2.5]octan-6-yl)-6-chloropyridine-3-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate;6-[(2R)-2-methylmorpholin-4-yl]pyridin-2-amine.
| Compound Name | 6-azaspiro[2.5]octane;4-(6-azaspiro[2.5]octan-6-yl)-6-chloro-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide;4-(6-azaspiro[2.5]octan-6-yl)-6-chloropyridine-3-carboxylic acid;4-(6-azaspiro[2.5]octan-6-yl)-6-(2-hydroxyethylsulfonylamino)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide;4,6-dichloropyridine-3-carboxylic acid;2-hydroxyethanesulfonamide;methyl 4-(6-azaspiro[2.5]octan-6-yl)-6-chloropyridine-3-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate;6-[(2R)-2-methylmorpholin-4-yl]pyridin-2-amine |
|---|---|
| PubChem CID | 163857354 |
| Molecular Formula | C107H137Cl7N22O19S2 |
| Molecular Weight | 2347.71 g/mol |
| Exact Mass | 2342.77 |
| IUPAC Name | 6-azaspiro[2.5]octane;4-(6-azaspiro[2.5]octan-6-yl)-6-chloro-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide;4-(6-azaspiro[2.5]octan-6-yl)-6-chloropyridine-3-carboxylic acid;4-(6-azaspiro[2.5]octan-6-yl)-6-(2-hydroxyethylsulfonylamino)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide;4,6-dichloropyridine-3-carboxylic acid;2-hydroxyethanesulfonamide;methyl 4-(6-azaspiro[2.5]octan-6-yl)-6-chloropyridine-3-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate;6-[(2R)-2-methylmorpholin-4-yl]pyridin-2-amine |
| SMILES | C1CC2(CCN1)CC2.COC(=O)c1cnc(Cl)cc1Cl.COC(=O)c1cnc(Cl)cc1N1CCC2(CC1)CC2.C[C@@H]1CN(c2cccc(N)n2)CCO1.C[C@@H]1CN(c2cccc(NC(=O)c3cnc(Cl)cc3N3CCC4(CC3)CC4)n2)CCO1.C[C@@H]1CN(c2cccc(NC(=O)c3cnc(NS(=O)(=O)CCO)cc3N3CCC4(CC3)CC4)n2)CCO1.NS(=O)(=O)CCO.O=C(O)c1cnc(Cl)cc1Cl.O=C(O)c1cnc(Cl)cc1N1CCC2(CC1)CC2 |
| InChI | InChI=1S/C25H34N6O5S.C23H28ClN5O2.C14H17ClN2O2.C13H15ClN2O2.C10H15N3O.C7H5Cl2NO2.C7H13N.C6H3Cl2NO2.C2H7NO3S/c1-18-17-31(11-13-36-18)23-4-2-3-21(27-23)28-24(33)19-16-26-22(29-37(34,35)14-12-32)15-20(19)30-9-7-25(5-6-25)8-10-30;1-16-15-29(11-12-31-16)21-4-2-3-20(26-21)27-22(30)17-14-25-19(24)13-18(17)28-9-7-23(5-6-23)8-10-28;1-19-13(18)10-9-16-12(15)8-11(10)17-6-4-14(2-3-14)5-7-17;14-11-7-10(9(8-15-11)12(17)18)16-5-3-13(1-2-13)4-6-16;1-8-7-13(5-6-14-8)10-4-2-3-9(11)12-10;1-12-7(11)4-3-10-6(9)2-5(4)8;1-2-7(1)3-5-8-6-4-7;7-4-1-5(8)9-2-3(4)6(10)11;3-7(5,6)2-1-4/h2-4,15-16,18,32H,5-14,17H2,1H3,(H,26,29)(H,27,28,33);2-4,13-14,16H,5-12,15H2,1H3,(H,26,27,30);8-9H,2-7H2,1H3;7-8H,1-6H2,(H,17,18);2-4,8H,5-7H2,1H3,(H2,11,12);2-3H,1H3;8H,1-6H2;1-2H,(H,10,11);4H,1-2H2,(H2,3,5,6)/t18-;16-;;;8-;;;;/m11..1..../s1 |
| InChIKey | OZLMLWVNSRTZSJ-DTEXMXIZSA-N |
| XLogP | 16.34 |
| TPSA | 536.62 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 35 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 157 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2347.71 |
| LogP ≤ 5 | 16.34 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 35 |
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'} |
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