lithium;2-amino-6-chloropyridine-3-carboxylate;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-methylpyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone;N-ethyl-5-[5-[(3S)-3-ethyl-4-piperidin-4-ylpiperazin-1-yl]-6-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-amine

C52H71Cl2LiN20O5 — CID 159179688

About lithium;2-amino-6-chloropyridine-3-carboxylate;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-methylpyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone;N-ethyl-5-[5-[(3S)-3-ethyl-4-piperidin-4-ylpiperazin-1-yl]-6-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-amine

lithium;2-amino-6-chloropyridine-3-carboxylate;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-methylpyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone;N-ethyl-5-[5-[(3S)-3-ethyl-4-piperidin-4-ylpiperazin-1-yl]-6-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-amine (PubChem CID 159179688) has the molecular formula C52H71Cl2LiN20O5 and a molecular weight of 1134.12 g/mol. Its IUPAC name is lithium;2-amino-6-chloropyridine-3-carboxylate;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-methylpyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone;N-ethyl-5-[5-[(3S)-3-ethyl-4-piperidin-4-ylpiperazin-1-yl]-6-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

• Compound Name: lithium;2-amino-6-chloropyridine-3-carboxylate;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-methylpyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone;N-ethyl-5-[5-[(3S)-3-ethyl-4-piperidin-4-ylpiperazin-1-yl]-6-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-amine
• PubChem CID: 159179688
• Molecular Formula: C52H71Cl2LiN20O5
• Molecular Weight: 1134.12 g/mol
• Exact Mass: 1132.55
• IUPAC Name: lithium;2-amino-6-chloropyridine-3-carboxylate;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-methylpyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone;N-ethyl-5-[5-[(3S)-3-ethyl-4-piperidin-4-ylpiperazin-1-yl]-6-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-amine
• SMILES: CCNc1nnc(-c2cnc(N3CCN(C4CCN(C(=O)c5ccc(Cl)nc5N)CC4)[C@@H](CC)C3)c(C)n2)o1.CCNc1nnc(-c2cnc(N3CCN(C4CCNCC4)[C@@H](CC)C3)c(C)n2)o1.Nc1nc(Cl)ccc1C(=O)[O-].[Li+]
• InChI: InChI=1S/C26H35ClN10O2.C20H32N8O.C6H5ClN2O2.Li/c1-4-17-15-36(23-16(3)31-20(14-30-23)24-33-34-26(39-24)29-5-2)12-13-37(17)18-8-10-35(11-9-18)25(38)19-6-7-21(27)32-22(19)28;1-4-15-13-27(10-11-28(15)16-6-8-21-9-7-16)18-14(3)24-17(12-23-18)19-25-26-20(29-19)22-5-2;7-4-2-1-3(6(10)11)5(8)9-4;/h6-7,14,17-18H,4-5,8-13,15H2,1-3H3,(H2,28,32)(H,29,34);12,15-16,21H,4-11,13H2,1-3H3,(H,22,26);1-2H,(H2,8,9)(H,10,11);/q;;;+1/p-1/t17-;15-;;/m00../s1
• InChIKey: KMSOUCSNESKSSE-DNLAOJGISA-M
• XLogP: 1.71
• TPSA: 316.71 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 24
• Rotatable Bonds: 14
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1134.12
LogP ≤ 5	1.71
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of lithium;2-amino-6-chloropyridine-3-carboxylate;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-methylpyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone;N-ethyl-5-[5-[(3S)-3-ethyl-4-piperidin-4-ylpiperazin-1-yl]-6-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-amine?

The IUPAC name of lithium;2-amino-6-chloropyridine-3-carboxylate;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-methylpyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone;N-ethyl-5-[5-[(3S)-3-ethyl-4-piperidin-4-ylpiperazin-1-yl]-6-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-amine (CID 159179688) is lithium;2-amino-6-chloropyridine-3-carboxylate;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-methylpyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone;N-ethyl-5-[5-[(3S)-3-ethyl-4-piperidin-4-ylpiperazin-1-yl]-6-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-amine.

What is the SMILES notation for lithium;2-amino-6-chloropyridine-3-carboxylate;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-methylpyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone;N-ethyl-5-[5-[(3S)-3-ethyl-4-piperidin-4-ylpiperazin-1-yl]-6-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-amine?

The canonical SMILES for lithium;2-amino-6-chloropyridine-3-carboxylate;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-methylpyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone;N-ethyl-5-[5-[(3S)-3-ethyl-4-piperidin-4-ylpiperazin-1-yl]-6-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-amine is CCNc1nnc(-c2cnc(N3CCN(C4CCN(C(=O)c5ccc(Cl)nc5N)CC4)[C@@H](CC)C3)c(C)n2)o1.CCNc1nnc(-c2cnc(N3CCN(C4CCNCC4)[C@@H](CC)C3)c(C)n2)o1.Nc1nc(Cl)ccc1C(=O)[O-].[Li+].

What is the InChIKey of lithium;2-amino-6-chloropyridine-3-carboxylate;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-methylpyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone;N-ethyl-5-[5-[(3S)-3-ethyl-4-piperidin-4-ylpiperazin-1-yl]-6-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-amine?

The InChIKey is KMSOUCSNESKSSE-DNLAOJGISA-M. The full InChI is InChI=1S/C26H35ClN10O2.C20H32N8O.C6H5ClN2O2.Li/c1-4-17-15-36(23-16(3)31-20(14-30-23)24-33-34-26(39-24)29-5-2)12-13-37(17)18-8-10-35(11-9-18)25(38)19-6-7-21(27)32-22(19)28;1-4-15-13-27(10-11-28(15)16-6-8-21-9-7-16)18-14(3)24-17(12-23-18)19-25-26-20(29-19)22-5-2;7-4-2-1-3(6(10)11)5(8)9-4;/h6-7,14,17-18H,4-5,8-13,15H2,1-3H3,(H2,28,32)(H,29,34);12,15-16,21H,4-11,13H2,1-3H3,(H,22,26);1-2H,(H2,8,9)(H,10,11);/q;;;+1/p-1/t17-;15-;;/m00../s1.

What are the key properties of lithium;2-amino-6-chloropyridine-3-carboxylate;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-methylpyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone;N-ethyl-5-[5-[(3S)-3-ethyl-4-piperidin-4-ylpiperazin-1-yl]-6-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-amine?

lithium;2-amino-6-chloropyridine-3-carboxylate;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-methylpyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone;N-ethyl-5-[5-[(3S)-3-ethyl-4-piperidin-4-ylpiperazin-1-yl]-6-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-amine has a molecular weight of 1134.12 g/mol, XLogP of 1.71, 14 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;2-amino-6-chloropyridine-3-carboxylate;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-methylpyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone;N-ethyl-5-[5-[(3S)-3-ethyl-4-piperidin-4-ylpiperazin-1-yl]-6-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 159179688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).