lithium;6-[(3S)-4-[1-(2-amino-6-chloropyridine-3-carbonyl)piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-1,5-dimethylpyrazin-2-one;2-amino-6-chloropyridine-3-carboxylate;tert-butyl 4-[(2S)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-1,3-dimethyl-6-oxopyrazin-2-yl]piperazin-1-yl]piperidine-1-carboxylate;methane;molecular hydrogen

C60H89Cl2LiN20O9 — CID 159687844

About lithium;6-[(3S)-4-[1-(2-amino-6-chloropyridine-3-carbonyl)piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-1,5-dimethylpyrazin-2-one;2-amino-6-chloropyridine-3-carboxylate;tert-butyl 4-[(2S)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-1,3-dimethyl-6-oxopyrazin-2-yl]piperazin-1-yl]piperidine-1-carboxylate;methane;molecular hydrogen

lithium;6-[(3S)-4-[1-(2-amino-6-chloropyridine-3-carbonyl)piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-1,5-dimethylpyrazin-2-one;2-amino-6-chloropyridine-3-carboxylate;tert-butyl 4-[(2S)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-1,3-dimethyl-6-oxopyrazin-2-yl]piperazin-1-yl]piperidine-1-carboxylate;methane;molecular hydrogen (PubChem CID 159687844) has the molecular formula C60H89Cl2LiN20O9 and a molecular weight of 1312.35 g/mol. Its IUPAC name is lithium;6-[(3S)-4-[1-(2-amino-6-chloropyridine-3-carbonyl)piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-1,5-dimethylpyrazin-2-one;2-amino-6-chloropyridine-3-carboxylate;tert-butyl 4-[(2S)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-1,3-dimethyl-6-oxopyrazin-2-yl]piperazin-1-yl]piperidine-1-carboxylate;methane;molecular hydrogen.

Molecular Properties

• Compound Name: lithium;6-[(3S)-4-[1-(2-amino-6-chloropyridine-3-carbonyl)piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-1,5-dimethylpyrazin-2-one;2-amino-6-chloropyridine-3-carboxylate;tert-butyl 4-[(2S)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-1,3-dimethyl-6-oxopyrazin-2-yl]piperazin-1-yl]piperidine-1-carboxylate;methane;molecular hydrogen
• PubChem CID: 159687844
• Molecular Formula: C60H89Cl2LiN20O9
• Molecular Weight: 1312.35 g/mol
• Exact Mass: 1310.67
• IUPAC Name: lithium;6-[(3S)-4-[1-(2-amino-6-chloropyridine-3-carbonyl)piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-1,5-dimethylpyrazin-2-one;2-amino-6-chloropyridine-3-carboxylate;tert-butyl 4-[(2S)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-1,3-dimethyl-6-oxopyrazin-2-yl]piperazin-1-yl]piperidine-1-carboxylate;methane;molecular hydrogen
• SMILES: C.CCNc1nnc(-c2nc(C)c(N3CCN(C4CCN(C(=O)OC(C)(C)C)CC4)[C@@H](CC)C3)n(C)c2=O)o1.CCNc1nnc(-c2nc(C)c(N3CCN(C4CCN(C(=O)c5ccc(Cl)nc5N)CC4)[C@@H](CC)C3)n(C)c2=O)o1.Nc1nc(Cl)ccc1C(=O)[O-].[H][H].[Li+]
• InChI: InChI=1S/C27H37ClN10O3.C26H42N8O4.C6H5ClN2O2.CH4.Li.H2/c1-5-17-15-37(24-16(3)31-21(26(40)35(24)4)23-33-34-27(41-23)30-6-2)13-14-38(17)18-9-11-36(12-10-18)25(39)19-7-8-20(28)32-22(19)29;1-8-18-16-33(14-15-34(18)19-10-12-32(13-11-19)25(36)38-26(4,5)6)22-17(3)28-20(23(35)31(22)7)21-29-30-24(37-21)27-9-2;7-4-2-1-3(6(10)11)5(8)9-4;;;/h7-8,17-18H,5-6,9-15H2,1-4H3,(H2,29,32)(H,30,34);18-19H,8-16H2,1-7H3,(H,27,30);1-2H,(H2,8,9)(H,10,11);1H4;;1H/q;;;;+1;/p-1/t17-;18-;;;;/m00..../s1
• InChIKey: MWAJOBAVWIALSH-YXHRUSLOSA-M
• XLogP: 2.84
• TPSA: 352.44 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 27
• Rotatable Bonds: 14
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1312.35
LogP ≤ 5	2.84
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of lithium;6-[(3S)-4-[1-(2-amino-6-chloropyridine-3-carbonyl)piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-1,5-dimethylpyrazin-2-one;2-amino-6-chloropyridine-3-carboxylate;tert-butyl 4-[(2S)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-1,3-dimethyl-6-oxopyrazin-2-yl]piperazin-1-yl]piperidine-1-carboxylate;methane;molecular hydrogen?

The IUPAC name of lithium;6-[(3S)-4-[1-(2-amino-6-chloropyridine-3-carbonyl)piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-1,5-dimethylpyrazin-2-one;2-amino-6-chloropyridine-3-carboxylate;tert-butyl 4-[(2S)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-1,3-dimethyl-6-oxopyrazin-2-yl]piperazin-1-yl]piperidine-1-carboxylate;methane;molecular hydrogen (CID 159687844) is lithium;6-[(3S)-4-[1-(2-amino-6-chloropyridine-3-carbonyl)piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-1,5-dimethylpyrazin-2-one;2-amino-6-chloropyridine-3-carboxylate;tert-butyl 4-[(2S)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-1,3-dimethyl-6-oxopyrazin-2-yl]piperazin-1-yl]piperidine-1-carboxylate;methane;molecular hydrogen.

What is the SMILES notation for lithium;6-[(3S)-4-[1-(2-amino-6-chloropyridine-3-carbonyl)piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-1,5-dimethylpyrazin-2-one;2-amino-6-chloropyridine-3-carboxylate;tert-butyl 4-[(2S)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-1,3-dimethyl-6-oxopyrazin-2-yl]piperazin-1-yl]piperidine-1-carboxylate;methane;molecular hydrogen?

The canonical SMILES for lithium;6-[(3S)-4-[1-(2-amino-6-chloropyridine-3-carbonyl)piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-1,5-dimethylpyrazin-2-one;2-amino-6-chloropyridine-3-carboxylate;tert-butyl 4-[(2S)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-1,3-dimethyl-6-oxopyrazin-2-yl]piperazin-1-yl]piperidine-1-carboxylate;methane;molecular hydrogen is C.CCNc1nnc(-c2nc(C)c(N3CCN(C4CCN(C(=O)OC(C)(C)C)CC4)[C@@H](CC)C3)n(C)c2=O)o1.CCNc1nnc(-c2nc(C)c(N3CCN(C4CCN(C(=O)c5ccc(Cl)nc5N)CC4)[C@@H](CC)C3)n(C)c2=O)o1.Nc1nc(Cl)ccc1C(=O)[O-].[H][H].[Li+].

What is the InChIKey of lithium;6-[(3S)-4-[1-(2-amino-6-chloropyridine-3-carbonyl)piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-1,5-dimethylpyrazin-2-one;2-amino-6-chloropyridine-3-carboxylate;tert-butyl 4-[(2S)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-1,3-dimethyl-6-oxopyrazin-2-yl]piperazin-1-yl]piperidine-1-carboxylate;methane;molecular hydrogen?

The InChIKey is MWAJOBAVWIALSH-YXHRUSLOSA-M. The full InChI is InChI=1S/C27H37ClN10O3.C26H42N8O4.C6H5ClN2O2.CH4.Li.H2/c1-5-17-15-37(24-16(3)31-21(26(40)35(24)4)23-33-34-27(41-23)30-6-2)13-14-38(17)18-9-11-36(12-10-18)25(39)19-7-8-20(28)32-22(19)29;1-8-18-16-33(14-15-34(18)19-10-12-32(13-11-19)25(36)38-26(4,5)6)22-17(3)28-20(23(35)31(22)7)21-29-30-24(37-21)27-9-2;7-4-2-1-3(6(10)11)5(8)9-4;;;/h7-8,17-18H,5-6,9-15H2,1-4H3,(H2,29,32)(H,30,34);18-19H,8-16H2,1-7H3,(H,27,30);1-2H,(H2,8,9)(H,10,11);1H4;;1H/q;;;;+1;/p-1/t17-;18-;;;;/m00..../s1.

What are the key properties of lithium;6-[(3S)-4-[1-(2-amino-6-chloropyridine-3-carbonyl)piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-1,5-dimethylpyrazin-2-one;2-amino-6-chloropyridine-3-carboxylate;tert-butyl 4-[(2S)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-1,3-dimethyl-6-oxopyrazin-2-yl]piperazin-1-yl]piperidine-1-carboxylate;methane;molecular hydrogen?

lithium;6-[(3S)-4-[1-(2-amino-6-chloropyridine-3-carbonyl)piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-1,5-dimethylpyrazin-2-one;2-amino-6-chloropyridine-3-carboxylate;tert-butyl 4-[(2S)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-1,3-dimethyl-6-oxopyrazin-2-yl]piperazin-1-yl]piperidine-1-carboxylate;methane;molecular hydrogen has a molecular weight of 1312.35 g/mol, XLogP of 2.84, 14 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;6-[(3S)-4-[1-(2-amino-6-chloropyridine-3-carbonyl)piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-1,5-dimethylpyrazin-2-one;2-amino-6-chloropyridine-3-carboxylate;tert-butyl 4-[(2S)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-1,3-dimethyl-6-oxopyrazin-2-yl]piperazin-1-yl]piperidine-1-carboxylate;methane;molecular hydrogen is sourced from PubChem (CID 159687844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).