lithium;3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylimidazo[4,5-b]pyridin-1-yl]methyl]benzoic acid;methyl 3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylimidazo[4,5-b]pyridin-1-yl]methyl]benzoate;hydroxide

C41H39LiN8O7 — CID 159553569

About lithium;3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylimidazo[4,5-b]pyridin-1-yl]methyl]benzoic acid;methyl 3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylimidazo[4,5-b]pyridin-1-yl]methyl]benzoate;hydroxide

lithium;3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylimidazo[4,5-b]pyridin-1-yl]methyl]benzoic acid;methyl 3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylimidazo[4,5-b]pyridin-1-yl]methyl]benzoate;hydroxide (PubChem CID 159553569) has the molecular formula C41H39LiN8O7 and a molecular weight of 762.75 g/mol. Its IUPAC name is lithium;3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylimidazo[4,5-b]pyridin-1-yl]methyl]benzoic acid;methyl 3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylimidazo[4,5-b]pyridin-1-yl]methyl]benzoate;hydroxide.

Molecular Properties

• Compound Name: lithium;3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylimidazo[4,5-b]pyridin-1-yl]methyl]benzoic acid;methyl 3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylimidazo[4,5-b]pyridin-1-yl]methyl]benzoate;hydroxide
• PubChem CID: 159553569
• Molecular Formula: C41H39LiN8O7
• Molecular Weight: 762.75 g/mol
• Exact Mass: 762.31
• IUPAC Name: lithium;3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylimidazo[4,5-b]pyridin-1-yl]methyl]benzoic acid;methyl 3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylimidazo[4,5-b]pyridin-1-yl]methyl]benzoate;hydroxide
• SMILES: COC(=O)c1cccc(Cn2c(C)nc3ncc(-c4c(C)noc4C)cc32)c1.Cc1noc(C)c1-c1cnc2nc(C)n(Cc3cccc(C(=O)O)c3)c2c1.[Li+].[OH-]
• InChI: InChI=1S/C21H20N4O3.C20H18N4O3.Li.H2O/c1-12-19(13(2)28-24-12)17-9-18-20(22-10-17)23-14(3)25(18)11-15-6-5-7-16(8-15)21(26)27-4;1-11-18(12(2)27-23-11)16-8-17-19(21-9-16)22-13(3)24(17)10-14-5-4-6-15(7-14)20(25)26;;/h5-10H,11H2,1-4H3;4-9H,10H2,1-3H3,(H,25,26);;1H2/q;;+1;/p-1
• InChIKey: MFRVSQXPDBVCSF-UHFFFAOYSA-M
• XLogP: 4.43
• TPSA: 207.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 14
• Rotatable Bonds: 8
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	762.75
LogP ≤ 5	4.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of lithium;3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylimidazo[4,5-b]pyridin-1-yl]methyl]benzoic acid;methyl 3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylimidazo[4,5-b]pyridin-1-yl]methyl]benzoate;hydroxide?

The IUPAC name of lithium;3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylimidazo[4,5-b]pyridin-1-yl]methyl]benzoic acid;methyl 3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylimidazo[4,5-b]pyridin-1-yl]methyl]benzoate;hydroxide (CID 159553569) is lithium;3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylimidazo[4,5-b]pyridin-1-yl]methyl]benzoic acid;methyl 3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylimidazo[4,5-b]pyridin-1-yl]methyl]benzoate;hydroxide.

What is the SMILES notation for lithium;3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylimidazo[4,5-b]pyridin-1-yl]methyl]benzoic acid;methyl 3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylimidazo[4,5-b]pyridin-1-yl]methyl]benzoate;hydroxide?

The canonical SMILES for lithium;3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylimidazo[4,5-b]pyridin-1-yl]methyl]benzoic acid;methyl 3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylimidazo[4,5-b]pyridin-1-yl]methyl]benzoate;hydroxide is COC(=O)c1cccc(Cn2c(C)nc3ncc(-c4c(C)noc4C)cc32)c1.Cc1noc(C)c1-c1cnc2nc(C)n(Cc3cccc(C(=O)O)c3)c2c1.[Li+].[OH-].

What is the InChIKey of lithium;3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylimidazo[4,5-b]pyridin-1-yl]methyl]benzoic acid;methyl 3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylimidazo[4,5-b]pyridin-1-yl]methyl]benzoate;hydroxide?

The InChIKey is MFRVSQXPDBVCSF-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H20N4O3.C20H18N4O3.Li.H2O/c1-12-19(13(2)28-24-12)17-9-18-20(22-10-17)23-14(3)25(18)11-15-6-5-7-16(8-15)21(26)27-4;1-11-18(12(2)27-23-11)16-8-17-19(21-9-16)22-13(3)24(17)10-14-5-4-6-15(7-14)20(25)26;;/h5-10H,11H2,1-4H3;4-9H,10H2,1-3H3,(H,25,26);;1H2/q;;+1;/p-1.

What are the key properties of lithium;3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylimidazo[4,5-b]pyridin-1-yl]methyl]benzoic acid;methyl 3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylimidazo[4,5-b]pyridin-1-yl]methyl]benzoate;hydroxide?

lithium;3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylimidazo[4,5-b]pyridin-1-yl]methyl]benzoic acid;methyl 3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylimidazo[4,5-b]pyridin-1-yl]methyl]benzoate;hydroxide has a molecular weight of 762.75 g/mol, XLogP of 4.43, 8 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylimidazo[4,5-b]pyridin-1-yl]methyl]benzoic acid;methyl 3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylimidazo[4,5-b]pyridin-1-yl]methyl]benzoate;hydroxide is sourced from PubChem (CID 159553569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).