lithium;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-2-ethyl-4-[3-methyl-5-(5-propyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone;(2-amino-6-chloro-3-pyridinyl)methanone;2-[5-[(3S)-3-ethyl-4-piperidin-4-ylpiperazin-1-yl]-6-methylpyrazin-2-yl]-5-propyl-1,3,4-oxadiazole;methane;hydroxide

C56H82Cl2LiN18O5- — CID 157059895

About lithium;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-2-ethyl-4-[3-methyl-5-(5-propyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone;(2-amino-6-chloro-3-pyridinyl)methanone;2-[5-[(3S)-3-ethyl-4-piperidin-4-ylpiperazin-1-yl]-6-methylpyrazin-2-yl]-5-propyl-1,3,4-oxadiazole;methane;hydroxide

lithium;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-2-ethyl-4-[3-methyl-5-(5-propyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone;(2-amino-6-chloro-3-pyridinyl)methanone;2-[5-[(3S)-3-ethyl-4-piperidin-4-ylpiperazin-1-yl]-6-methylpyrazin-2-yl]-5-propyl-1,3,4-oxadiazole;methane;hydroxide (PubChem CID 157059895) has the molecular formula C56H82Cl2LiN18O5- and a molecular weight of 1165.24 g/mol. Its IUPAC name is lithium;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-2-ethyl-4-[3-methyl-5-(5-propyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone;(2-amino-6-chloro-3-pyridinyl)methanone;2-[5-[(3S)-3-ethyl-4-piperidin-4-ylpiperazin-1-yl]-6-methylpyrazin-2-yl]-5-propyl-1,3,4-oxadiazole;methane;hydroxide.

Molecular Properties

• Compound Name: lithium;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-2-ethyl-4-[3-methyl-5-(5-propyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone;(2-amino-6-chloro-3-pyridinyl)methanone;2-[5-[(3S)-3-ethyl-4-piperidin-4-ylpiperazin-1-yl]-6-methylpyrazin-2-yl]-5-propyl-1,3,4-oxadiazole;methane;hydroxide
• PubChem CID: 157059895
• Molecular Formula: C56H82Cl2LiN18O5-
• Molecular Weight: 1165.24 g/mol
• Exact Mass: 1163.63
• IUPAC Name: lithium;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-2-ethyl-4-[3-methyl-5-(5-propyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone;(2-amino-6-chloro-3-pyridinyl)methanone;2-[5-[(3S)-3-ethyl-4-piperidin-4-ylpiperazin-1-yl]-6-methylpyrazin-2-yl]-5-propyl-1,3,4-oxadiazole;methane;hydroxide
• SMILES: C.C.CCCc1nnc(-c2cnc(N3CCN(C4CCN(C(=O)c5ccc(Cl)nc5N)CC4)[C@@H](CC)C3)c(C)n2)o1.CCCc1nnc(-c2cnc(N3CCN(C4CCNCC4)[C@@H](CC)C3)c(C)n2)o1.Nc1nc(Cl)ccc1[C-]=O.[Li+].[OH-]
• InChI: InChI=1S/C27H36ClN9O2.C21H33N7O.C6H4ClN2O.2CH4.Li.H2O/c1-4-6-23-33-34-26(39-23)21-15-30-25(17(3)31-21)36-13-14-37(18(5-2)16-36)19-9-11-35(12-10-19)27(38)20-7-8-22(28)32-24(20)29;1-4-6-19-25-26-21(29-19)18-13-23-20(15(3)24-18)27-11-12-28(16(5-2)14-27)17-7-9-22-10-8-17;7-5-2-1-4(3-10)6(8)9-5;;;;/h7-8,15,18-19H,4-6,9-14,16H2,1-3H3,(H2,29,32);13,16-17,22H,4-12,14H2,1-3H3;1-2H,(H2,8,9);2*1H4;;1H2/q;;-1;;;+1;/p-1/t18-;16-;;;;;/m00...../s1
• InChIKey: JVUZCKMFQHCLFF-AFIZLCTASA-M
• XLogP: 4.94
• TPSA: 299.59 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 22
• Rotatable Bonds: 14
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1165.24
LogP ≤ 5	4.94
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of lithium;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-2-ethyl-4-[3-methyl-5-(5-propyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone;(2-amino-6-chloro-3-pyridinyl)methanone;2-[5-[(3S)-3-ethyl-4-piperidin-4-ylpiperazin-1-yl]-6-methylpyrazin-2-yl]-5-propyl-1,3,4-oxadiazole;methane;hydroxide?

The IUPAC name of lithium;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-2-ethyl-4-[3-methyl-5-(5-propyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone;(2-amino-6-chloro-3-pyridinyl)methanone;2-[5-[(3S)-3-ethyl-4-piperidin-4-ylpiperazin-1-yl]-6-methylpyrazin-2-yl]-5-propyl-1,3,4-oxadiazole;methane;hydroxide (CID 157059895) is lithium;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-2-ethyl-4-[3-methyl-5-(5-propyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone;(2-amino-6-chloro-3-pyridinyl)methanone;2-[5-[(3S)-3-ethyl-4-piperidin-4-ylpiperazin-1-yl]-6-methylpyrazin-2-yl]-5-propyl-1,3,4-oxadiazole;methane;hydroxide.

What is the SMILES notation for lithium;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-2-ethyl-4-[3-methyl-5-(5-propyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone;(2-amino-6-chloro-3-pyridinyl)methanone;2-[5-[(3S)-3-ethyl-4-piperidin-4-ylpiperazin-1-yl]-6-methylpyrazin-2-yl]-5-propyl-1,3,4-oxadiazole;methane;hydroxide?

The canonical SMILES for lithium;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-2-ethyl-4-[3-methyl-5-(5-propyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone;(2-amino-6-chloro-3-pyridinyl)methanone;2-[5-[(3S)-3-ethyl-4-piperidin-4-ylpiperazin-1-yl]-6-methylpyrazin-2-yl]-5-propyl-1,3,4-oxadiazole;methane;hydroxide is C.C.CCCc1nnc(-c2cnc(N3CCN(C4CCN(C(=O)c5ccc(Cl)nc5N)CC4)[C@@H](CC)C3)c(C)n2)o1.CCCc1nnc(-c2cnc(N3CCN(C4CCNCC4)[C@@H](CC)C3)c(C)n2)o1.Nc1nc(Cl)ccc1[C-]=O.[Li+].[OH-].

What is the InChIKey of lithium;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-2-ethyl-4-[3-methyl-5-(5-propyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone;(2-amino-6-chloro-3-pyridinyl)methanone;2-[5-[(3S)-3-ethyl-4-piperidin-4-ylpiperazin-1-yl]-6-methylpyrazin-2-yl]-5-propyl-1,3,4-oxadiazole;methane;hydroxide?

The InChIKey is JVUZCKMFQHCLFF-AFIZLCTASA-M. The full InChI is InChI=1S/C27H36ClN9O2.C21H33N7O.C6H4ClN2O.2CH4.Li.H2O/c1-4-6-23-33-34-26(39-23)21-15-30-25(17(3)31-21)36-13-14-37(18(5-2)16-36)19-9-11-35(12-10-19)27(38)20-7-8-22(28)32-24(20)29;1-4-6-19-25-26-21(29-19)18-13-23-20(15(3)24-18)27-11-12-28(16(5-2)14-27)17-7-9-22-10-8-17;7-5-2-1-4(3-10)6(8)9-5;;;;/h7-8,15,18-19H,4-6,9-14,16H2,1-3H3,(H2,29,32);13,16-17,22H,4-12,14H2,1-3H3;1-2H,(H2,8,9);2*1H4;;1H2/q;;-1;;;+1;/p-1/t18-;16-;;;;;/m00...../s1.

What are the key properties of lithium;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-2-ethyl-4-[3-methyl-5-(5-propyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone;(2-amino-6-chloro-3-pyridinyl)methanone;2-[5-[(3S)-3-ethyl-4-piperidin-4-ylpiperazin-1-yl]-6-methylpyrazin-2-yl]-5-propyl-1,3,4-oxadiazole;methane;hydroxide?

lithium;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-2-ethyl-4-[3-methyl-5-(5-propyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone;(2-amino-6-chloro-3-pyridinyl)methanone;2-[5-[(3S)-3-ethyl-4-piperidin-4-ylpiperazin-1-yl]-6-methylpyrazin-2-yl]-5-propyl-1,3,4-oxadiazole;methane;hydroxide has a molecular weight of 1165.24 g/mol, XLogP of 4.94, 14 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-2-ethyl-4-[3-methyl-5-(5-propyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone;(2-amino-6-chloro-3-pyridinyl)methanone;2-[5-[(3S)-3-ethyl-4-piperidin-4-ylpiperazin-1-yl]-6-methylpyrazin-2-yl]-5-propyl-1,3,4-oxadiazole;methane;hydroxide is sourced from PubChem (CID 157059895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).