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

C32H30F3N5O2 — CID 59590014

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

N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 59590014) has the molecular formula C32H30F3N5O2 and a molecular weight of 573.62 g/mol. Its IUPAC name is N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

• Compound Name: N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
• PubChem CID: 59590014
• Molecular Formula: C32H30F3N5O2
• Molecular Weight: 573.62 g/mol
• Exact Mass: 573.24
• IUPAC Name: N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
• SMILES: FC(F)(F)c1cccc(COc2cccc(-c3cccc4nc(Nc5ccc(OCCN6CCCC6)cc5)nn34)c2)c1
• InChI: InChI=1S/C32H30F3N5O2/c33-32(34,35)25-8-3-6-23(20-25)22-42-28-9-4-7-24(21-28)29-10-5-11-30-37-31(38-40(29)30)36-26-12-14-27(15-13-26)41-19-18-39-16-1-2-17-39/h3-15,20-21H,1-2,16-19,22H2,(H,36,38)
• InChIKey: CRRJYQQLEMIVSB-UHFFFAOYSA-N
• XLogP: 7.21
• TPSA: 63.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	573.62
LogP ≤ 5	7.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 59590014) is N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

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

The canonical SMILES for N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is FC(F)(F)c1cccc(COc2cccc(-c3cccc4nc(Nc5ccc(OCCN6CCCC6)cc5)nn34)c2)c1.

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

The InChIKey is CRRJYQQLEMIVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30F3N5O2/c33-32(34,35)25-8-3-6-23(20-25)22-42-28-9-4-7-24(21-28)29-10-5-11-30-37-31(38-40(29)30)36-26-12-14-27(15-13-26)41-19-18-39-16-1-2-17-39/h3-15,20-21H,1-2,16-19,22H2,(H,36,38).

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

N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 573.62 g/mol, XLogP of 7.21, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 59590014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).