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

C26H29N7O3 — CID 53234984

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

1-[3-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-3-(2-morpholin-4-ylethyl)urea (PubChem CID 53234984) has the molecular formula C26H29N7O3 and a molecular weight of 487.56 g/mol. Its IUPAC name is 1-[3-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-3-(2-morpholin-4-ylethyl)urea.

Molecular Properties

• Compound Name: 1-[3-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-3-(2-morpholin-4-ylethyl)urea
• PubChem CID: 53234984
• Molecular Formula: C26H29N7O3
• Molecular Weight: 487.56 g/mol
• Exact Mass: 487.23
• IUPAC Name: 1-[3-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-3-(2-morpholin-4-ylethyl)urea
• SMILES: COc1ccccc1Nc1nc2ccc(-c3cccc(NC(=O)NCCN4CCOCC4)c3)cn2n1
• InChI: InChI=1S/C26H29N7O3/c1-35-23-8-3-2-7-22(23)29-25-30-24-10-9-20(18-33(24)31-25)19-5-4-6-21(17-19)28-26(34)27-11-12-32-13-15-36-16-14-32/h2-10,17-18H,11-16H2,1H3,(H,29,31)(H2,27,28,34)
• InChIKey: PLPQEDQEJGMAPL-UHFFFAOYSA-N
• XLogP: 3.60
• TPSA: 105.05 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.56
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

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-(2-morpholin-4-ylethyl)urea?

The IUPAC name of 1-[3-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-3-(2-morpholin-4-ylethyl)urea (CID 53234984) is 1-[3-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-3-(2-morpholin-4-ylethyl)urea.

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

The canonical SMILES for 1-[3-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-3-(2-morpholin-4-ylethyl)urea is COc1ccccc1Nc1nc2ccc(-c3cccc(NC(=O)NCCN4CCOCC4)c3)cn2n1.

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

The InChIKey is PLPQEDQEJGMAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O3/c1-35-23-8-3-2-7-22(23)29-25-30-24-10-9-20(18-33(24)31-25)19-5-4-6-21(17-19)28-26(34)27-11-12-32-13-15-36-16-14-32/h2-10,17-18H,11-16H2,1H3,(H,29,31)(H2,27,28,34).

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

1-[3-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-3-(2-morpholin-4-ylethyl)urea has a molecular weight of 487.56 g/mol, XLogP of 3.60, 8 rotatable bonds, 3 hydrogen bond donors, and 8 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-(2-morpholin-4-ylethyl)urea is sourced from PubChem (CID 53234984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).