5-[3-[(2-methoxyphenyl)methoxy]phenyl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine

C34H36N4O2 — CID 158283105

About 5-[3-[(2-methoxyphenyl)methoxy]phenyl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine

5-[3-[(2-methoxyphenyl)methoxy]phenyl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 158283105) has the molecular formula C34H36N4O2 and a molecular weight of 532.69 g/mol. Its IUPAC name is 5-[3-[(2-methoxyphenyl)methoxy]phenyl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

• Compound Name: 5-[3-[(2-methoxyphenyl)methoxy]phenyl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine
• PubChem CID: 158283105
• Molecular Formula: C34H36N4O2
• Molecular Weight: 532.69 g/mol
• Exact Mass: 532.28
• IUPAC Name: 5-[3-[(2-methoxyphenyl)methoxy]phenyl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine
• SMILES: COc1ccccc1COc1cccc(-c2cccc3nc(Cc4ccc(CCCN5CCCC5)cc4)nn23)c1
• InChI: InChI=1S/C34H36N4O2/c1-39-32-14-3-2-10-29(32)25-40-30-12-6-11-28(24-30)31-13-7-15-34-35-33(36-38(31)34)23-27-18-16-26(17-19-27)9-8-22-37-20-4-5-21-37/h2-3,6-7,10-19,24H,4-5,8-9,20-23,25H2,1H3
• InChIKey: WCKHXUIBFWHHOP-UHFFFAOYSA-N
• XLogP: 6.60
• TPSA: 51.89 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	532.69
LogP ≤ 5	6.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(2-methoxyphenyl)methoxy]phenyl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine?

The IUPAC name of 5-[3-[(2-methoxyphenyl)methoxy]phenyl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine (CID 158283105) is 5-[3-[(2-methoxyphenyl)methoxy]phenyl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine.

What is the SMILES notation for 5-[3-[(2-methoxyphenyl)methoxy]phenyl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine?

The canonical SMILES for 5-[3-[(2-methoxyphenyl)methoxy]phenyl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine is COc1ccccc1COc1cccc(-c2cccc3nc(Cc4ccc(CCCN5CCCC5)cc4)nn23)c1.

What is the InChIKey of 5-[3-[(2-methoxyphenyl)methoxy]phenyl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine?

The InChIKey is WCKHXUIBFWHHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36N4O2/c1-39-32-14-3-2-10-29(32)25-40-30-12-6-11-28(24-30)31-13-7-15-34-35-33(36-38(31)34)23-27-18-16-26(17-19-27)9-8-22-37-20-4-5-21-37/h2-3,6-7,10-19,24H,4-5,8-9,20-23,25H2,1H3.

What are the key properties of 5-[3-[(2-methoxyphenyl)methoxy]phenyl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine?

5-[3-[(2-methoxyphenyl)methoxy]phenyl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 532.69 g/mol, XLogP of 6.60, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[(2-methoxyphenyl)methoxy]phenyl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 158283105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).