5-[3-(oxolan-2-ylmethoxy)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C29H33N5O3 — CID 59589653

About 5-[3-(oxolan-2-ylmethoxy)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

5-[3-(oxolan-2-ylmethoxy)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 59589653) has the molecular formula C29H33N5O3 and a molecular weight of 499.62 g/mol. Its IUPAC name is 5-[3-(oxolan-2-ylmethoxy)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

• Compound Name: 5-[3-(oxolan-2-ylmethoxy)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
• PubChem CID: 59589653
• Molecular Formula: C29H33N5O3
• Molecular Weight: 499.62 g/mol
• Exact Mass: 499.26
• IUPAC Name: 5-[3-(oxolan-2-ylmethoxy)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
• SMILES: c1cc(OCC2CCCO2)cc(-c2cccc3nc(Nc4ccc(OCCN5CCCC5)cc4)nn23)c1
• InChI: InChI=1S/C29H33N5O3/c1-2-16-33(15-1)17-19-36-24-13-11-23(12-14-24)30-29-31-28-10-4-9-27(34(28)32-29)22-6-3-7-25(20-22)37-21-26-8-5-18-35-26/h3-4,6-7,9-14,20,26H,1-2,5,8,15-19,21H2,(H,30,32)
• InChIKey: GYCQUAWMLYYOAO-UHFFFAOYSA-N
• XLogP: 5.17
• TPSA: 73.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	499.62
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[3-(oxolan-2-ylmethoxy)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?

The IUPAC name of 5-[3-(oxolan-2-ylmethoxy)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 59589653) is 5-[3-(oxolan-2-ylmethoxy)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

What is the SMILES notation for 5-[3-(oxolan-2-ylmethoxy)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?

The canonical SMILES for 5-[3-(oxolan-2-ylmethoxy)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is c1cc(OCC2CCCO2)cc(-c2cccc3nc(Nc4ccc(OCCN5CCCC5)cc4)nn23)c1.

What is the InChIKey of 5-[3-(oxolan-2-ylmethoxy)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?

The InChIKey is GYCQUAWMLYYOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N5O3/c1-2-16-33(15-1)17-19-36-24-13-11-23(12-14-24)30-29-31-28-10-4-9-27(34(28)32-29)22-6-3-7-25(20-22)37-21-26-8-5-18-35-26/h3-4,6-7,9-14,20,26H,1-2,5,8,15-19,21H2,(H,30,32).

What are the key properties of 5-[3-(oxolan-2-ylmethoxy)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?

5-[3-(oxolan-2-ylmethoxy)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 499.62 g/mol, XLogP of 5.17, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-(oxolan-2-ylmethoxy)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 59589653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).