sodium;2-[6-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]quinolin-2-yl]benzoic acid;hydride

C27H25N4NaO2 — CID 173217045

About sodium;2-[6-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]quinolin-2-yl]benzoic acid;hydride

sodium;2-[6-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]quinolin-2-yl]benzoic acid;hydride (PubChem CID 173217045) has the molecular formula C27H25N4NaO2 and a molecular weight of 460.51 g/mol. Its IUPAC name is sodium;2-[6-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]quinolin-2-yl]benzoic acid;hydride.

Molecular Properties

• Compound Name: sodium;2-[6-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]quinolin-2-yl]benzoic acid;hydride
• PubChem CID: 173217045
• Molecular Formula: C27H25N4NaO2
• Molecular Weight: 460.51 g/mol
• Exact Mass: 460.19
• IUPAC Name: sodium;2-[6-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]quinolin-2-yl]benzoic acid;hydride
• SMILES: CCc1nc2c(C)cc(C)nc2n1Cc1ccc2nc(-c3ccccc3C(=O)O)ccc2c1.[H-].[Na+]
• InChI: InChI=1S/C27H24N4O2.Na.H/c1-4-24-30-25-16(2)13-17(3)28-26(25)31(24)15-18-9-11-22-19(14-18)10-12-23(29-22)20-7-5-6-8-21(20)27(32)33;;/h5-14H,4,15H2,1-3H3,(H,32,33);;/q;+1;-1
• InChIKey: ZFKOQGCIOMKOSV-UHFFFAOYSA-N
• XLogP: 2.69
• TPSA: 80.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.51
LogP ≤ 5	2.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of sodium;2-[6-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]quinolin-2-yl]benzoic acid;hydride?

The IUPAC name of sodium;2-[6-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]quinolin-2-yl]benzoic acid;hydride (CID 173217045) is sodium;2-[6-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]quinolin-2-yl]benzoic acid;hydride.

What is the SMILES notation for sodium;2-[6-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]quinolin-2-yl]benzoic acid;hydride?

The canonical SMILES for sodium;2-[6-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]quinolin-2-yl]benzoic acid;hydride is CCc1nc2c(C)cc(C)nc2n1Cc1ccc2nc(-c3ccccc3C(=O)O)ccc2c1.[H-].[Na+].

What is the InChIKey of sodium;2-[6-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]quinolin-2-yl]benzoic acid;hydride?

The InChIKey is ZFKOQGCIOMKOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O2.Na.H/c1-4-24-30-25-16(2)13-17(3)28-26(25)31(24)15-18-9-11-22-19(14-18)10-12-23(29-22)20-7-5-6-8-21(20)27(32)33;;/h5-14H,4,15H2,1-3H3,(H,32,33);;/q;+1;-1.

What are the key properties of sodium;2-[6-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]quinolin-2-yl]benzoic acid;hydride?

sodium;2-[6-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]quinolin-2-yl]benzoic acid;hydride has a molecular weight of 460.51 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;2-[6-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]quinolin-2-yl]benzoic acid;hydride is sourced from PubChem (CID 173217045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).