lithium;3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1H-1,2,4-triazol-3-yl]propan-1-one;(7-chloroimidazo[1,5-a]pyridin-1-yl)methanamine;2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)acetohydrazide;5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1H-1,2,4-triazole-3-carboxylic acid;ethyl 2-amino-2-[3-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-2-oxopropyl]iminoacetate;ethyl 2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)acetate;ethyl 5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1H-1,2,4-triazole-3-carboxylate;ethyl 2-ethoxy-2-iminoacetate;methane;hydroxide;hydrate;hydrochloride

C111H127Cl3LiN31O16 — CID 160585582

About lithium;3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1H-1,2,4-triazol-3-yl]propan-1-one;(7-chloroimidazo[1,5-a]pyridin-1-yl)methanamine;2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)acetohydrazide;5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1H-1,2,4-triazole-3-carboxylic acid;ethyl 2-amino-2-[3-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-2-oxopropyl]iminoacetate;ethyl 2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)acetate;ethyl 5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1H-1,2,4-triazole-3-carboxylate;ethyl 2-ethoxy-2-iminoacetate;methane;hydroxide;hydrate;hydrochloride

lithium;3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1H-1,2,4-triazol-3-yl]propan-1-one;(7-chloroimidazo[1,5-a]pyridin-1-yl)methanamine;2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)acetohydrazide;5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1H-1,2,4-triazole-3-carboxylic acid;ethyl 2-amino-2-[3-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-2-oxopropyl]iminoacetate;ethyl 2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)acetate;ethyl 5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1H-1,2,4-triazole-3-carboxylate;ethyl 2-ethoxy-2-iminoacetate;methane;hydroxide;hydrate;hydrochloride (PubChem CID 160585582) has the molecular formula C111H127Cl3LiN31O16 and a molecular weight of 2264.74 g/mol. Its IUPAC name is lithium;3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1H-1,2,4-triazol-3-yl]propan-1-one;(7-chloroimidazo[1,5-a]pyridin-1-yl)methanamine;2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)acetohydrazide;5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1H-1,2,4-triazole-3-carboxylic acid;ethyl 2-amino-2-[3-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-2-oxopropyl]iminoacetate;ethyl 2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)acetate;ethyl 5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1H-1,2,4-triazole-3-carboxylate;ethyl 2-ethoxy-2-iminoacetate;methane;hydroxide;hydrate;hydrochloride.

Molecular Properties

• Compound Name: lithium;3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1H-1,2,4-triazol-3-yl]propan-1-one;(7-chloroimidazo[1,5-a]pyridin-1-yl)methanamine;2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)acetohydrazide;5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1H-1,2,4-triazole-3-carboxylic acid;ethyl 2-amino-2-[3-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-2-oxopropyl]iminoacetate;ethyl 2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)acetate;ethyl 5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1H-1,2,4-triazole-3-carboxylate;ethyl 2-ethoxy-2-iminoacetate;methane;hydroxide;hydrate;hydrochloride
• PubChem CID: 160585582
• Molecular Formula: C111H127Cl3LiN31O16
• Molecular Weight: 2264.74 g/mol
• Exact Mass: 2261.93
• IUPAC Name: lithium;3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1H-1,2,4-triazol-3-yl]propan-1-one;(7-chloroimidazo[1,5-a]pyridin-1-yl)methanamine;2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)acetohydrazide;5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1H-1,2,4-triazole-3-carboxylic acid;ethyl 2-amino-2-[3-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-2-oxopropyl]iminoacetate;ethyl 2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)acetate;ethyl 5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1H-1,2,4-triazole-3-carboxylate;ethyl 2-ethoxy-2-iminoacetate;methane;hydroxide;hydrate;hydrochloride
• SMILES: C.CCOC(=O)/C(N)=N/CC(=O)Cc1cn2cc(C3CC3)ccc2n1.CCOC(=O)Cc1cn2cc(C3CC3)ccc2n1.CCOC(=O)c1n[nH]c(Cc2cn3cc(C4CC4)ccc3n2)n1.Cl.NCc1ncn2ccc(Cl)cc12.NNC(=O)Cc1cn2cc(C3CC3)ccc2n1.O.O=C(CCc1ncn2ccc(Cl)cc12)c1n[nH]c(Cc2cn3cc(C4CC4)ccc3n2)n1.O=C(O)c1n[nH]c(Cc2cn3cc(C4CC4)ccc3n2)n1.[H]/N=C(\OCC)C(=O)OCC.[Li+].[OH-]
• InChI: InChI=1S/C23H20ClN7O.C17H20N4O3.C16H17N5O2.C14H13N5O2.C14H16N2O2.C12H14N4O.C8H8ClN3.C6H11NO3.CH4.ClH.Li.2H2O/c24-16-7-8-30-13-25-18(19(30)9-16)4-5-20(32)23-27-21(28-29-23)10-17-12-31-11-15(14-1-2-14)3-6-22(31)26-17;1-2-24-17(23)16(18)19-8-14(22)7-13-10-21-9-12(11-3-4-11)5-6-15(21)20-13;1-2-23-16(22)15-18-13(19-20-15)7-12-9-21-8-11(10-3-4-10)5-6-14(21)17-12;20-14(21)13-16-11(17-18-13)5-10-7-19-6-9(8-1-2-8)3-4-12(19)15-10;1-2-18-14(17)7-12-9-16-8-11(10-3-4-10)5-6-13(16)15-12;13-15-12(17)5-10-7-16-6-9(8-1-2-8)3-4-11(16)14-10;9-6-1-2-12-5-11-7(4-10)8(12)3-6;1-3-9-5(7)6(8)10-4-2;;;;;/h3,6-9,11-14H,1-2,4-5,10H2,(H,27,28,29);5-6,9-11H,2-4,7-8H2,1H3,(H2,18,19);5-6,8-10H,2-4,7H2,1H3,(H,18,19,20);3-4,6-8H,1-2,5H2,(H,20,21)(H,16,17,18);5-6,8-10H,2-4,7H2,1H3;3-4,6-8H,1-2,5,13H2,(H,15,17);1-3,5H,4,10H2;7H,3-4H2,1-2H3;1H4;1H;;2*1H2/q;;;;;;;;;;+1;;/p-1/b;;;;;;;7-5-
• InChIKey: PMWRJKVRXFSQKZ-PBLRMORGSA-M
• XLogP: 11.13
• TPSA: 653.85 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 40
• Rotatable Bonds: 32
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2264.74
LogP ≤ 5	11.13
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1H-1,2,4-triazol-3-yl]propan-1-one;(7-chloroimidazo[1,5-a]pyridin-1-yl)methanamine;2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)acetohydrazide;5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1H-1,2,4-triazole-3-carboxylic acid;ethyl 2-amino-2-[3-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-2-oxopropyl]iminoacetate;ethyl 2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)acetate;ethyl 5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1H-1,2,4-triazole-3-carboxylate;ethyl 2-ethoxy-2-iminoacetate;methane;hydroxide;hydrate;hydrochloride?

The IUPAC name of lithium;3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1H-1,2,4-triazol-3-yl]propan-1-one;(7-chloroimidazo[1,5-a]pyridin-1-yl)methanamine;2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)acetohydrazide;5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1H-1,2,4-triazole-3-carboxylic acid;ethyl 2-amino-2-[3-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-2-oxopropyl]iminoacetate;ethyl 2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)acetate;ethyl 5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1H-1,2,4-triazole-3-carboxylate;ethyl 2-ethoxy-2-iminoacetate;methane;hydroxide;hydrate;hydrochloride (CID 160585582) is lithium;3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1H-1,2,4-triazol-3-yl]propan-1-one;(7-chloroimidazo[1,5-a]pyridin-1-yl)methanamine;2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)acetohydrazide;5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1H-1,2,4-triazole-3-carboxylic acid;ethyl 2-amino-2-[3-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-2-oxopropyl]iminoacetate;ethyl 2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)acetate;ethyl 5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1H-1,2,4-triazole-3-carboxylate;ethyl 2-ethoxy-2-iminoacetate;methane;hydroxide;hydrate;hydrochloride.

What is the SMILES notation for lithium;3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1H-1,2,4-triazol-3-yl]propan-1-one;(7-chloroimidazo[1,5-a]pyridin-1-yl)methanamine;2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)acetohydrazide;5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1H-1,2,4-triazole-3-carboxylic acid;ethyl 2-amino-2-[3-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-2-oxopropyl]iminoacetate;ethyl 2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)acetate;ethyl 5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1H-1,2,4-triazole-3-carboxylate;ethyl 2-ethoxy-2-iminoacetate;methane;hydroxide;hydrate;hydrochloride?

The canonical SMILES for lithium;3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1H-1,2,4-triazol-3-yl]propan-1-one;(7-chloroimidazo[1,5-a]pyridin-1-yl)methanamine;2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)acetohydrazide;5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1H-1,2,4-triazole-3-carboxylic acid;ethyl 2-amino-2-[3-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-2-oxopropyl]iminoacetate;ethyl 2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)acetate;ethyl 5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1H-1,2,4-triazole-3-carboxylate;ethyl 2-ethoxy-2-iminoacetate;methane;hydroxide;hydrate;hydrochloride is C.CCOC(=O)/C(N)=N/CC(=O)Cc1cn2cc(C3CC3)ccc2n1.CCOC(=O)Cc1cn2cc(C3CC3)ccc2n1.CCOC(=O)c1n[nH]c(Cc2cn3cc(C4CC4)ccc3n2)n1.Cl.NCc1ncn2ccc(Cl)cc12.NNC(=O)Cc1cn2cc(C3CC3)ccc2n1.O.O=C(CCc1ncn2ccc(Cl)cc12)c1n[nH]c(Cc2cn3cc(C4CC4)ccc3n2)n1.O=C(O)c1n[nH]c(Cc2cn3cc(C4CC4)ccc3n2)n1.[H]/N=C(\OCC)C(=O)OCC.[Li+].[OH-].

What is the InChIKey of lithium;3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1H-1,2,4-triazol-3-yl]propan-1-one;(7-chloroimidazo[1,5-a]pyridin-1-yl)methanamine;2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)acetohydrazide;5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1H-1,2,4-triazole-3-carboxylic acid;ethyl 2-amino-2-[3-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-2-oxopropyl]iminoacetate;ethyl 2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)acetate;ethyl 5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1H-1,2,4-triazole-3-carboxylate;ethyl 2-ethoxy-2-iminoacetate;methane;hydroxide;hydrate;hydrochloride?

The InChIKey is PMWRJKVRXFSQKZ-PBLRMORGSA-M. The full InChI is InChI=1S/C23H20ClN7O.C17H20N4O3.C16H17N5O2.C14H13N5O2.C14H16N2O2.C12H14N4O.C8H8ClN3.C6H11NO3.CH4.ClH.Li.2H2O/c24-16-7-8-30-13-25-18(19(30)9-16)4-5-20(32)23-27-21(28-29-23)10-17-12-31-11-15(14-1-2-14)3-6-22(31)26-17;1-2-24-17(23)16(18)19-8-14(22)7-13-10-21-9-12(11-3-4-11)5-6-15(21)20-13;1-2-23-16(22)15-18-13(19-20-15)7-12-9-21-8-11(10-3-4-10)5-6-14(21)17-12;20-14(21)13-16-11(17-18-13)5-10-7-19-6-9(8-1-2-8)3-4-12(19)15-10;1-2-18-14(17)7-12-9-16-8-11(10-3-4-10)5-6-13(16)15-12;13-15-12(17)5-10-7-16-6-9(8-1-2-8)3-4-11(16)14-10;9-6-1-2-12-5-11-7(4-10)8(12)3-6;1-3-9-5(7)6(8)10-4-2;;;;;/h3,6-9,11-14H,1-2,4-5,10H2,(H,27,28,29);5-6,9-11H,2-4,7-8H2,1H3,(H2,18,19);5-6,8-10H,2-4,7H2,1H3,(H,18,19,20);3-4,6-8H,1-2,5H2,(H,20,21)(H,16,17,18);5-6,8-10H,2-4,7H2,1H3;3-4,6-8H,1-2,5,13H2,(H,15,17);1-3,5H,4,10H2;7H,3-4H2,1-2H3;1H4;1H;;2*1H2/q;;;;;;;;;;+1;;/p-1/b;;;;;;;7-5-;;;;;.

What are the key properties of lithium;3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1H-1,2,4-triazol-3-yl]propan-1-one;(7-chloroimidazo[1,5-a]pyridin-1-yl)methanamine;2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)acetohydrazide;5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1H-1,2,4-triazole-3-carboxylic acid;ethyl 2-amino-2-[3-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-2-oxopropyl]iminoacetate;ethyl 2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)acetate;ethyl 5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1H-1,2,4-triazole-3-carboxylate;ethyl 2-ethoxy-2-iminoacetate;methane;hydroxide;hydrate;hydrochloride?

lithium;3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1H-1,2,4-triazol-3-yl]propan-1-one;(7-chloroimidazo[1,5-a]pyridin-1-yl)methanamine;2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)acetohydrazide;5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1H-1,2,4-triazole-3-carboxylic acid;ethyl 2-amino-2-[3-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-2-oxopropyl]iminoacetate;ethyl 2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)acetate;ethyl 5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1H-1,2,4-triazole-3-carboxylate;ethyl 2-ethoxy-2-iminoacetate;methane;hydroxide;hydrate;hydrochloride has a molecular weight of 2264.74 g/mol, XLogP of 11.13, 32 rotatable bonds, 9 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1H-1,2,4-triazol-3-yl]propan-1-one;(7-chloroimidazo[1,5-a]pyridin-1-yl)methanamine;2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)acetohydrazide;5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1H-1,2,4-triazole-3-carboxylic acid;ethyl 2-amino-2-[3-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-2-oxopropyl]iminoacetate;ethyl 2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)acetate;ethyl 5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1H-1,2,4-triazole-3-carboxylate;ethyl 2-ethoxy-2-iminoacetate;methane;hydroxide;hydrate;hydrochloride is sourced from PubChem (CID 160585582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).