lithium;benzyl 1-[[6-cyclopropyl-8-(2-ethoxycarbonylcyclopropyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate;(7-chloro-8aH-imidazo[1,5-a]pyridin-4-ium-1-yl)methanamine;2-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylic acid;1-[[6-cyclopropyl-8-(2-ethoxycarbonylcyclopropyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylic acid;ethyl 2-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylate;dihydroxide;hydrochloride

C114H115Cl4LiN24O16 — CID 161236643

About lithium;benzyl 1-[[6-cyclopropyl-8-(2-ethoxycarbonylcyclopropyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate;(7-chloro-8aH-imidazo[1,5-a]pyridin-4-ium-1-yl)methanamine;2-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylic acid;1-[[6-cyclopropyl-8-(2-ethoxycarbonylcyclopropyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylic acid;ethyl 2-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylate;dihydroxide;hydrochloride

lithium;benzyl 1-[[6-cyclopropyl-8-(2-ethoxycarbonylcyclopropyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate;(7-chloro-8aH-imidazo[1,5-a]pyridin-4-ium-1-yl)methanamine;2-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylic acid;1-[[6-cyclopropyl-8-(2-ethoxycarbonylcyclopropyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylic acid;ethyl 2-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylate;dihydroxide;hydrochloride (PubChem CID 161236643) has the molecular formula C114H115Cl4LiN24O16 and a molecular weight of 2226.08 g/mol. Its IUPAC name is lithium;benzyl 1-[[6-cyclopropyl-8-(2-ethoxycarbonylcyclopropyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate;(7-chloro-8aH-imidazo[1,5-a]pyridin-4-ium-1-yl)methanamine;2-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylic acid;1-[[6-cyclopropyl-8-(2-ethoxycarbonylcyclopropyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylic acid;ethyl 2-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylate;dihydroxide;hydrochloride.

Molecular Properties

• Compound Name: lithium;benzyl 1-[[6-cyclopropyl-8-(2-ethoxycarbonylcyclopropyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate;(7-chloro-8aH-imidazo[1,5-a]pyridin-4-ium-1-yl)methanamine;2-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylic acid;1-[[6-cyclopropyl-8-(2-ethoxycarbonylcyclopropyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylic acid;ethyl 2-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylate;dihydroxide;hydrochloride
• PubChem CID: 161236643
• Molecular Formula: C114H115Cl4LiN24O16
• Molecular Weight: 2226.08 g/mol
• Exact Mass: 2222.78
• IUPAC Name: lithium;benzyl 1-[[6-cyclopropyl-8-(2-ethoxycarbonylcyclopropyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate;(7-chloro-8aH-imidazo[1,5-a]pyridin-4-ium-1-yl)methanamine;2-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylic acid;1-[[6-cyclopropyl-8-(2-ethoxycarbonylcyclopropyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylic acid;ethyl 2-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylate;dihydroxide;hydrochloride
• SMILES: CCOC(=O)C1CC1c1cc(C2CC2)cn2cc(Cn3cc(C(=O)CCc4ncn5ccc(Cl)cc45)cn3)nc12.CCOC(=O)C1CC1c1cc(C2CC2)cn2cc(Cn3cc(C(=O)O)cn3)nc12.CCOC(=O)C1CC1c1cc(C2CC2)cn2cc(Cn3cc(C(=O)OCc4ccccc4)cn3)nc12.Cl.NCC1=NC=[N+]2C=CC(Cl)=CC12.O=C(CCc1ncn2ccc(Cl)cc12)c1cn(Cc2cn3cc(C4CC4)cc(C4CC4C(=O)O)c3n2)nn1.[Li+].[OH-].[OH-]
• InChI: InChI=1S/C30H29ClN6O3.C28H28N4O4.C27H24ClN7O3.C21H22N4O4.C8H9ClN3.ClH.Li.2H2O/c1-2-40-30(39)25-11-23(25)24-9-19(18-3-4-18)13-36-15-22(34-29(24)36)16-37-14-20(12-33-37)28(38)6-5-26-27-10-21(31)7-8-35(27)17-32-26;1-2-35-28(34)25-11-23(25)24-10-20(19-8-9-19)13-31-15-22(30-26(24)31)16-32-14-21(12-29-32)27(33)36-17-18-6-4-3-5-7-18;28-17-5-6-33-14-29-22(24(33)8-17)3-4-25(36)23-13-35(32-31-23)12-18-11-34-10-16(15-1-2-15)7-20(26(34)30-18)19-9-21(19)27(37)38;1-2-29-21(28)18-6-16(18)17-5-13(12-3-4-12)8-24-10-15(23-19(17)24)11-25-9-14(7-22-25)20(26)27;9-6-1-2-12-5-11-7(4-10)8(12)3-6;;;;/h7-10,12-15,17-18,23,25H,2-6,11,16H2,1H3;3-7,10,12-15,19,23,25H,2,8-9,11,16-17H2,1H3;5-8,10-11,13-15,19,21H,1-4,9,12H2,(H,37,38);5,7-10,12,16,18H,2-4,6,11H2,1H3,(H,26,27);1-3,5,8H,4,10H2;1H;;2*1H2/q;;;;+1;;+1;;/p-2
• InChIKey: UZUNTCFVCKKSJN-UHFFFAOYSA-L
• XLogP: 14.23
• TPSA: 503.30 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 37
• Rotatable Bonds: 36
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2226.08
LogP ≤ 5	14.23
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;benzyl 1-[[6-cyclopropyl-8-(2-ethoxycarbonylcyclopropyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate;(7-chloro-8aH-imidazo[1,5-a]pyridin-4-ium-1-yl)methanamine;2-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylic acid;1-[[6-cyclopropyl-8-(2-ethoxycarbonylcyclopropyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylic acid;ethyl 2-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylate;dihydroxide;hydrochloride?

The IUPAC name of lithium;benzyl 1-[[6-cyclopropyl-8-(2-ethoxycarbonylcyclopropyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate;(7-chloro-8aH-imidazo[1,5-a]pyridin-4-ium-1-yl)methanamine;2-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylic acid;1-[[6-cyclopropyl-8-(2-ethoxycarbonylcyclopropyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylic acid;ethyl 2-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylate;dihydroxide;hydrochloride (CID 161236643) is lithium;benzyl 1-[[6-cyclopropyl-8-(2-ethoxycarbonylcyclopropyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate;(7-chloro-8aH-imidazo[1,5-a]pyridin-4-ium-1-yl)methanamine;2-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylic acid;1-[[6-cyclopropyl-8-(2-ethoxycarbonylcyclopropyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylic acid;ethyl 2-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylate;dihydroxide;hydrochloride.

What is the SMILES notation for lithium;benzyl 1-[[6-cyclopropyl-8-(2-ethoxycarbonylcyclopropyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate;(7-chloro-8aH-imidazo[1,5-a]pyridin-4-ium-1-yl)methanamine;2-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylic acid;1-[[6-cyclopropyl-8-(2-ethoxycarbonylcyclopropyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylic acid;ethyl 2-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylate;dihydroxide;hydrochloride?

The canonical SMILES for lithium;benzyl 1-[[6-cyclopropyl-8-(2-ethoxycarbonylcyclopropyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate;(7-chloro-8aH-imidazo[1,5-a]pyridin-4-ium-1-yl)methanamine;2-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylic acid;1-[[6-cyclopropyl-8-(2-ethoxycarbonylcyclopropyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylic acid;ethyl 2-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylate;dihydroxide;hydrochloride is CCOC(=O)C1CC1c1cc(C2CC2)cn2cc(Cn3cc(C(=O)CCc4ncn5ccc(Cl)cc45)cn3)nc12.CCOC(=O)C1CC1c1cc(C2CC2)cn2cc(Cn3cc(C(=O)O)cn3)nc12.CCOC(=O)C1CC1c1cc(C2CC2)cn2cc(Cn3cc(C(=O)OCc4ccccc4)cn3)nc12.Cl.NCC1=NC=[N+]2C=CC(Cl)=CC12.O=C(CCc1ncn2ccc(Cl)cc12)c1cn(Cc2cn3cc(C4CC4)cc(C4CC4C(=O)O)c3n2)nn1.[Li+].[OH-].[OH-].

What is the InChIKey of lithium;benzyl 1-[[6-cyclopropyl-8-(2-ethoxycarbonylcyclopropyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate;(7-chloro-8aH-imidazo[1,5-a]pyridin-4-ium-1-yl)methanamine;2-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylic acid;1-[[6-cyclopropyl-8-(2-ethoxycarbonylcyclopropyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylic acid;ethyl 2-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylate;dihydroxide;hydrochloride?

The InChIKey is UZUNTCFVCKKSJN-UHFFFAOYSA-L. The full InChI is InChI=1S/C30H29ClN6O3.C28H28N4O4.C27H24ClN7O3.C21H22N4O4.C8H9ClN3.ClH.Li.2H2O/c1-2-40-30(39)25-11-23(25)24-9-19(18-3-4-18)13-36-15-22(34-29(24)36)16-37-14-20(12-33-37)28(38)6-5-26-27-10-21(31)7-8-35(27)17-32-26;1-2-35-28(34)25-11-23(25)24-10-20(19-8-9-19)13-31-15-22(30-26(24)31)16-32-14-21(12-29-32)27(33)36-17-18-6-4-3-5-7-18;28-17-5-6-33-14-29-22(24(33)8-17)3-4-25(36)23-13-35(32-31-23)12-18-11-34-10-16(15-1-2-15)7-20(26(34)30-18)19-9-21(19)27(37)38;1-2-29-21(28)18-6-16(18)17-5-13(12-3-4-12)8-24-10-15(23-19(17)24)11-25-9-14(7-22-25)20(26)27;9-6-1-2-12-5-11-7(4-10)8(12)3-6;;;;/h7-10,12-15,17-18,23,25H,2-6,11,16H2,1H3;3-7,10,12-15,19,23,25H,2,8-9,11,16-17H2,1H3;5-8,10-11,13-15,19,21H,1-4,9,12H2,(H,37,38);5,7-10,12,16,18H,2-4,6,11H2,1H3,(H,26,27);1-3,5,8H,4,10H2;1H;;2*1H2/q;;;;+1;;+1;;/p-2.

What are the key properties of lithium;benzyl 1-[[6-cyclopropyl-8-(2-ethoxycarbonylcyclopropyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate;(7-chloro-8aH-imidazo[1,5-a]pyridin-4-ium-1-yl)methanamine;2-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylic acid;1-[[6-cyclopropyl-8-(2-ethoxycarbonylcyclopropyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylic acid;ethyl 2-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylate;dihydroxide;hydrochloride?

lithium;benzyl 1-[[6-cyclopropyl-8-(2-ethoxycarbonylcyclopropyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate;(7-chloro-8aH-imidazo[1,5-a]pyridin-4-ium-1-yl)methanamine;2-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylic acid;1-[[6-cyclopropyl-8-(2-ethoxycarbonylcyclopropyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylic acid;ethyl 2-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylate;dihydroxide;hydrochloride has a molecular weight of 2226.08 g/mol, XLogP of 14.23, 36 rotatable bonds, 3 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;benzyl 1-[[6-cyclopropyl-8-(2-ethoxycarbonylcyclopropyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate;(7-chloro-8aH-imidazo[1,5-a]pyridin-4-ium-1-yl)methanamine;2-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylic acid;1-[[6-cyclopropyl-8-(2-ethoxycarbonylcyclopropyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylic acid;ethyl 2-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylate;dihydroxide;hydrochloride is sourced from PubChem (CID 161236643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).