1-[3-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-3-phenylurea

C26H22N6O2 — CID 53234900

About 1-[3-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-3-phenylurea

1-[3-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-3-phenylurea (PubChem CID 53234900) has the molecular formula C26H22N6O2 and a molecular weight of 450.50 g/mol. Its IUPAC name is 1-[3-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-3-phenylurea.

Molecular Properties

• Compound Name: 1-[3-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-3-phenylurea
• PubChem CID: 53234900
• Molecular Formula: C26H22N6O2
• Molecular Weight: 450.50 g/mol
• Exact Mass: 450.18
• IUPAC Name: 1-[3-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-3-phenylurea
• SMILES: COc1ccccc1Nc1nc2ccc(-c3cccc(NC(=O)Nc4ccccc4)c3)cn2n1
• InChI: InChI=1S/C26H22N6O2/c1-34-23-13-6-5-12-22(23)29-25-30-24-15-14-19(17-32(24)31-25)18-8-7-11-21(16-18)28-26(33)27-20-9-3-2-4-10-20/h2-17H,1H3,(H,29,31)(H2,27,28,33)
• InChIKey: FBSMWGUBAZFGFU-UHFFFAOYSA-N
• XLogP: 5.79
• TPSA: 92.58 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	450.50
LogP ≤ 5	5.79
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-3-phenylurea?

The IUPAC name of 1-[3-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-3-phenylurea (CID 53234900) is 1-[3-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-3-phenylurea.

What is the SMILES notation for 1-[3-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-3-phenylurea?

The canonical SMILES for 1-[3-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-3-phenylurea is COc1ccccc1Nc1nc2ccc(-c3cccc(NC(=O)Nc4ccccc4)c3)cn2n1.

What is the InChIKey of 1-[3-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-3-phenylurea?

The InChIKey is FBSMWGUBAZFGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N6O2/c1-34-23-13-6-5-12-22(23)29-25-30-24-15-14-19(17-32(24)31-25)18-8-7-11-21(16-18)28-26(33)27-20-9-3-2-4-10-20/h2-17H,1H3,(H,29,31)(H2,27,28,33).

What are the key properties of 1-[3-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-3-phenylurea?

1-[3-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-3-phenylurea has a molecular weight of 450.50 g/mol, XLogP of 5.79, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-3-phenylurea is sourced from PubChem (CID 53234900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).