3-[3-(4-ethylphenyl)-5-(2-methyl-1,2,4-triazol-3-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine

C22H20N8 — CID 171496093

About 3-[3-(4-ethylphenyl)-5-(2-methyl-1,2,4-triazol-3-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine

3-[3-(4-ethylphenyl)-5-(2-methyl-1,2,4-triazol-3-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine (PubChem CID 171496093) has the molecular formula C22H20N8 and a molecular weight of 396.46 g/mol. Its IUPAC name is 3-[3-(4-ethylphenyl)-5-(2-methyl-1,2,4-triazol-3-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine.

Molecular Properties

• Compound Name: 3-[3-(4-ethylphenyl)-5-(2-methyl-1,2,4-triazol-3-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
• PubChem CID: 171496093
• Molecular Formula: C22H20N8
• Molecular Weight: 396.46 g/mol
• Exact Mass: 396.18
• IUPAC Name: 3-[3-(4-ethylphenyl)-5-(2-methyl-1,2,4-triazol-3-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
• SMILES: CCc1ccc(-n2c(-c3cccnc3N)nc3ccc(-c4ncnn4C)nc32)cc1
• InChI: InChI=1S/C22H20N8/c1-3-14-6-8-15(9-7-14)30-20(16-5-4-12-24-19(16)23)27-18-11-10-17(28-22(18)30)21-25-13-26-29(21)2/h4-13H,3H2,1-2H3,(H2,23,24)
• InChIKey: QGEITKWEIPVYIY-UHFFFAOYSA-N
• XLogP: 3.42
• TPSA: 100.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.46
LogP ≤ 5	3.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-ethylphenyl)-5-(2-methyl-1,2,4-triazol-3-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?

The IUPAC name of 3-[3-(4-ethylphenyl)-5-(2-methyl-1,2,4-triazol-3-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine (CID 171496093) is 3-[3-(4-ethylphenyl)-5-(2-methyl-1,2,4-triazol-3-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine.

What is the SMILES notation for 3-[3-(4-ethylphenyl)-5-(2-methyl-1,2,4-triazol-3-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?

The canonical SMILES for 3-[3-(4-ethylphenyl)-5-(2-methyl-1,2,4-triazol-3-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine is CCc1ccc(-n2c(-c3cccnc3N)nc3ccc(-c4ncnn4C)nc32)cc1.

What is the InChIKey of 3-[3-(4-ethylphenyl)-5-(2-methyl-1,2,4-triazol-3-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?

The InChIKey is QGEITKWEIPVYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N8/c1-3-14-6-8-15(9-7-14)30-20(16-5-4-12-24-19(16)23)27-18-11-10-17(28-22(18)30)21-25-13-26-29(21)2/h4-13H,3H2,1-2H3,(H2,23,24).

What are the key properties of 3-[3-(4-ethylphenyl)-5-(2-methyl-1,2,4-triazol-3-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?

3-[3-(4-ethylphenyl)-5-(2-methyl-1,2,4-triazol-3-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine has a molecular weight of 396.46 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-(4-ethylphenyl)-5-(2-methyl-1,2,4-triazol-3-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine is sourced from PubChem (CID 171496093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).