lithium 2-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]acetate

C19H14LiN5O2 — CID 58345222

About lithium 2-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]acetate

lithium 2-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]acetate (PubChem CID 58345222) has the molecular formula C19H14LiN5O2 and a molecular weight of 351.30 g/mol. Its IUPAC name is lithium 2-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]acetate.

Molecular Properties

• Compound Name: lithium 2-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]acetate
• PubChem CID: 58345222
• Molecular Formula: C19H14LiN5O2
• Molecular Weight: 351.30 g/mol
• Exact Mass: 351.13
• IUPAC Name: lithium 2-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]acetate
• SMILES: Nc1ncccc1-c1nc2cccnc2n1-c1ccc(CC(=O)[O-])cc1.[Li+]
• InChI: InChI=1S/C19H15N5O2.Li/c20-17-14(3-1-9-21-17)18-23-15-4-2-10-22-19(15)24(18)13-7-5-12(6-8-13)11-16(25)26;/h1-10H,11H2,(H2,20,21)(H,25,26);/q;+1/p-1
• InChIKey: SWVYXFWLYLXGAS-UHFFFAOYSA-M
• XLogP: -1.64
• TPSA: 109.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	351.30
LogP ≤ 5	-1.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of lithium 2-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]acetate?

The IUPAC name of lithium 2-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]acetate (CID 58345222) is lithium 2-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]acetate.

What is the SMILES notation for lithium 2-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]acetate?

The canonical SMILES for lithium 2-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]acetate is Nc1ncccc1-c1nc2cccnc2n1-c1ccc(CC(=O)[O-])cc1.[Li+].

What is the InChIKey of lithium 2-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]acetate?

The InChIKey is SWVYXFWLYLXGAS-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H15N5O2.Li/c20-17-14(3-1-9-21-17)18-23-15-4-2-10-22-19(15)24(18)13-7-5-12(6-8-13)11-16(25)26;/h1-10H,11H2,(H2,20,21)(H,25,26);/q;+1/p-1.

What are the key properties of lithium 2-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]acetate?

lithium 2-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]acetate has a molecular weight of 351.30 g/mol, XLogP of -1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for lithium 2-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]acetate is sourced from PubChem (CID 58345222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).