potassium;tert-butyl (2R,5R)-5-hydroxy-2-methylpiperidine-1-carboxylate;2-fluoro-4-iodo-3-methoxypyridine;4-iodo-3-methoxy-2-[(3R,6R)-6-methylpiperidin-3-yl]oxypyridine;[(2R,5R)-5-[(4-iodo-3-methoxy-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-(6-methoxy-2-pyrimidin-2-yl-3-pyridinyl)methanone;6-methoxy-2-pyrimidin-2-ylpyridine-3-carboxylate

C63H75FI3KN12O13 — CID 162253075

About potassium;tert-butyl (2R,5R)-5-hydroxy-2-methylpiperidine-1-carboxylate;2-fluoro-4-iodo-3-methoxypyridine;4-iodo-3-methoxy-2-[(3R,6R)-6-methylpiperidin-3-yl]oxypyridine;[(2R,5R)-5-[(4-iodo-3-methoxy-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-(6-methoxy-2-pyrimidin-2-yl-3-pyridinyl)methanone;6-methoxy-2-pyrimidin-2-ylpyridine-3-carboxylate

potassium;tert-butyl (2R,5R)-5-hydroxy-2-methylpiperidine-1-carboxylate;2-fluoro-4-iodo-3-methoxypyridine;4-iodo-3-methoxy-2-[(3R,6R)-6-methylpiperidin-3-yl]oxypyridine;[(2R,5R)-5-[(4-iodo-3-methoxy-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-(6-methoxy-2-pyrimidin-2-yl-3-pyridinyl)methanone;6-methoxy-2-pyrimidin-2-ylpyridine-3-carboxylate (PubChem CID 162253075) has the molecular formula C63H75FI3KN12O13 and a molecular weight of 1647.17 g/mol. Its IUPAC name is potassium;tert-butyl (2R,5R)-5-hydroxy-2-methylpiperidine-1-carboxylate;2-fluoro-4-iodo-3-methoxypyridine;4-iodo-3-methoxy-2-[(3R,6R)-6-methylpiperidin-3-yl]oxypyridine;[(2R,5R)-5-[(4-iodo-3-methoxy-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-(6-methoxy-2-pyrimidin-2-yl-3-pyridinyl)methanone;6-methoxy-2-pyrimidin-2-ylpyridine-3-carboxylate.

Molecular Properties

• Compound Name: potassium;tert-butyl (2R,5R)-5-hydroxy-2-methylpiperidine-1-carboxylate;2-fluoro-4-iodo-3-methoxypyridine;4-iodo-3-methoxy-2-[(3R,6R)-6-methylpiperidin-3-yl]oxypyridine;[(2R,5R)-5-[(4-iodo-3-methoxy-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-(6-methoxy-2-pyrimidin-2-yl-3-pyridinyl)methanone;6-methoxy-2-pyrimidin-2-ylpyridine-3-carboxylate
• PubChem CID: 162253075
• Molecular Formula: C63H75FI3KN12O13
• Molecular Weight: 1647.17 g/mol
• Exact Mass: 1646.23
• IUPAC Name: potassium;tert-butyl (2R,5R)-5-hydroxy-2-methylpiperidine-1-carboxylate;2-fluoro-4-iodo-3-methoxypyridine;4-iodo-3-methoxy-2-[(3R,6R)-6-methylpiperidin-3-yl]oxypyridine;[(2R,5R)-5-[(4-iodo-3-methoxy-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-(6-methoxy-2-pyrimidin-2-yl-3-pyridinyl)methanone;6-methoxy-2-pyrimidin-2-ylpyridine-3-carboxylate
• SMILES: COc1c(I)ccnc1F.COc1c(I)ccnc1O[C@@H]1CC[C@@H](C)NC1.COc1ccc(C(=O)N2C[C@H](Oc3nccc(I)c3OC)CC[C@H]2C)c(-c2ncccn2)n1.COc1ccc(C(=O)[O-])c(-c2ncccn2)n1.C[C@@H]1CC[C@@H](O)CN1C(=O)OC(C)(C)C.[K+]
• InChI: InChI=1S/C23H24IN5O4.C12H17IN2O2.C11H9N3O3.C11H21NO3.C6H5FINO.K/c1-14-5-6-15(33-22-20(32-3)17(24)9-12-27-22)13-29(14)23(30)16-7-8-18(31-2)28-19(16)21-25-10-4-11-26-21;1-8-3-4-9(7-15-8)17-12-11(16-2)10(13)5-6-14-12;1-17-8-4-3-7(11(15)16)9(14-8)10-12-5-2-6-13-10;1-8-5-6-9(13)7-12(8)10(14)15-11(2,3)4;1-10-5-4(8)2-3-9-6(5)7;/h4,7-12,14-15H,5-6,13H2,1-3H3;5-6,8-9,15H,3-4,7H2,1-2H3;2-6H,1H3,(H,15,16);8-9,13H,5-7H2,1-4H3;2-3H,1H3;/q;;;;;+1/p-1/t14-,15-;8-,9-;;8-,9-;;/m11.1../s1
• InChIKey: ZYFXEOFGTZJIFP-FPTGJSJWSA-M
• XLogP: 6.36
• TPSA: 302.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 23
• Rotatable Bonds: 13
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1647.17
LogP ≤ 5	6.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of potassium;tert-butyl (2R,5R)-5-hydroxy-2-methylpiperidine-1-carboxylate;2-fluoro-4-iodo-3-methoxypyridine;4-iodo-3-methoxy-2-[(3R,6R)-6-methylpiperidin-3-yl]oxypyridine;[(2R,5R)-5-[(4-iodo-3-methoxy-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-(6-methoxy-2-pyrimidin-2-yl-3-pyridinyl)methanone;6-methoxy-2-pyrimidin-2-ylpyridine-3-carboxylate?

The IUPAC name of potassium;tert-butyl (2R,5R)-5-hydroxy-2-methylpiperidine-1-carboxylate;2-fluoro-4-iodo-3-methoxypyridine;4-iodo-3-methoxy-2-[(3R,6R)-6-methylpiperidin-3-yl]oxypyridine;[(2R,5R)-5-[(4-iodo-3-methoxy-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-(6-methoxy-2-pyrimidin-2-yl-3-pyridinyl)methanone;6-methoxy-2-pyrimidin-2-ylpyridine-3-carboxylate (CID 162253075) is potassium;tert-butyl (2R,5R)-5-hydroxy-2-methylpiperidine-1-carboxylate;2-fluoro-4-iodo-3-methoxypyridine;4-iodo-3-methoxy-2-[(3R,6R)-6-methylpiperidin-3-yl]oxypyridine;[(2R,5R)-5-[(4-iodo-3-methoxy-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-(6-methoxy-2-pyrimidin-2-yl-3-pyridinyl)methanone;6-methoxy-2-pyrimidin-2-ylpyridine-3-carboxylate.

What is the SMILES notation for potassium;tert-butyl (2R,5R)-5-hydroxy-2-methylpiperidine-1-carboxylate;2-fluoro-4-iodo-3-methoxypyridine;4-iodo-3-methoxy-2-[(3R,6R)-6-methylpiperidin-3-yl]oxypyridine;[(2R,5R)-5-[(4-iodo-3-methoxy-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-(6-methoxy-2-pyrimidin-2-yl-3-pyridinyl)methanone;6-methoxy-2-pyrimidin-2-ylpyridine-3-carboxylate?

The canonical SMILES for potassium;tert-butyl (2R,5R)-5-hydroxy-2-methylpiperidine-1-carboxylate;2-fluoro-4-iodo-3-methoxypyridine;4-iodo-3-methoxy-2-[(3R,6R)-6-methylpiperidin-3-yl]oxypyridine;[(2R,5R)-5-[(4-iodo-3-methoxy-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-(6-methoxy-2-pyrimidin-2-yl-3-pyridinyl)methanone;6-methoxy-2-pyrimidin-2-ylpyridine-3-carboxylate is COc1c(I)ccnc1F.COc1c(I)ccnc1O[C@@H]1CC[C@@H](C)NC1.COc1ccc(C(=O)N2C[C@H](Oc3nccc(I)c3OC)CC[C@H]2C)c(-c2ncccn2)n1.COc1ccc(C(=O)[O-])c(-c2ncccn2)n1.C[C@@H]1CC[C@@H](O)CN1C(=O)OC(C)(C)C.[K+].

What is the InChIKey of potassium;tert-butyl (2R,5R)-5-hydroxy-2-methylpiperidine-1-carboxylate;2-fluoro-4-iodo-3-methoxypyridine;4-iodo-3-methoxy-2-[(3R,6R)-6-methylpiperidin-3-yl]oxypyridine;[(2R,5R)-5-[(4-iodo-3-methoxy-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-(6-methoxy-2-pyrimidin-2-yl-3-pyridinyl)methanone;6-methoxy-2-pyrimidin-2-ylpyridine-3-carboxylate?

The InChIKey is ZYFXEOFGTZJIFP-FPTGJSJWSA-M. The full InChI is InChI=1S/C23H24IN5O4.C12H17IN2O2.C11H9N3O3.C11H21NO3.C6H5FINO.K/c1-14-5-6-15(33-22-20(32-3)17(24)9-12-27-22)13-29(14)23(30)16-7-8-18(31-2)28-19(16)21-25-10-4-11-26-21;1-8-3-4-9(7-15-8)17-12-11(16-2)10(13)5-6-14-12;1-17-8-4-3-7(11(15)16)9(14-8)10-12-5-2-6-13-10;1-8-5-6-9(13)7-12(8)10(14)15-11(2,3)4;1-10-5-4(8)2-3-9-6(5)7;/h4,7-12,14-15H,5-6,13H2,1-3H3;5-6,8-9,15H,3-4,7H2,1-2H3;2-6H,1H3,(H,15,16);8-9,13H,5-7H2,1-4H3;2-3H,1H3;/q;;;;;+1/p-1/t14-,15-;8-,9-;;8-,9-;;/m11.1../s1.

What are the key properties of potassium;tert-butyl (2R,5R)-5-hydroxy-2-methylpiperidine-1-carboxylate;2-fluoro-4-iodo-3-methoxypyridine;4-iodo-3-methoxy-2-[(3R,6R)-6-methylpiperidin-3-yl]oxypyridine;[(2R,5R)-5-[(4-iodo-3-methoxy-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-(6-methoxy-2-pyrimidin-2-yl-3-pyridinyl)methanone;6-methoxy-2-pyrimidin-2-ylpyridine-3-carboxylate?

potassium;tert-butyl (2R,5R)-5-hydroxy-2-methylpiperidine-1-carboxylate;2-fluoro-4-iodo-3-methoxypyridine;4-iodo-3-methoxy-2-[(3R,6R)-6-methylpiperidin-3-yl]oxypyridine;[(2R,5R)-5-[(4-iodo-3-methoxy-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-(6-methoxy-2-pyrimidin-2-yl-3-pyridinyl)methanone;6-methoxy-2-pyrimidin-2-ylpyridine-3-carboxylate has a molecular weight of 1647.17 g/mol, XLogP of 6.36, 13 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;tert-butyl (2R,5R)-5-hydroxy-2-methylpiperidine-1-carboxylate;2-fluoro-4-iodo-3-methoxypyridine;4-iodo-3-methoxy-2-[(3R,6R)-6-methylpiperidin-3-yl]oxypyridine;[(2R,5R)-5-[(4-iodo-3-methoxy-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-(6-methoxy-2-pyrimidin-2-yl-3-pyridinyl)methanone;6-methoxy-2-pyrimidin-2-ylpyridine-3-carboxylate is sourced from PubChem (CID 162253075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).