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

C32H33N5O2 — CID 59589868

IUPAC5-[3-[(4-methylphenyl)methoxy]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1ccc(COc2cccc(-c3cccc4nc(Nc5ccc(OCCN6CCCC6)cc5)nn34)c2)cc1
InChIInChI=1S/C32H33N5O2/c1-24-10-12-25(13-11-24)23-39-29-7-4-6-26(22-29)30-8-5-9-31-34-32(35-37(30)31)33-27-14-16-28(17-15-27)38-21-20-36-18-2-3-19-36/h4-17,22H,2-3,18-21,23H2,1H3,(H,33,35)
InChIKeyMCTQVUMDAXRQGN-UHFFFAOYSA-N
MW519.65 g/mol
LogP6.50
Rot. Bonds10

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

5-[3-[(4-methylphenyl)methoxy]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 59589868) has the molecular formula C32H33N5O2 and a molecular weight of 519.65 g/mol. Its IUPAC name is 5-[3-[(4-methylphenyl)methoxy]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name5-[3-[(4-methylphenyl)methoxy]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID59589868
Molecular FormulaC32H33N5O2
Molecular Weight519.65 g/mol
Exact Mass519.26
IUPAC Name5-[3-[(4-methylphenyl)methoxy]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1ccc(COc2cccc(-c3cccc4nc(Nc5ccc(OCCN6CCCC6)cc5)nn34)c2)cc1
InChIInChI=1S/C32H33N5O2/c1-24-10-12-25(13-11-24)23-39-29-7-4-6-26(22-29)30-8-5-9-31-34-32(35-37(30)31)33-27-14-16-28(17-15-27)38-21-20-36-18-2-3-19-36/h4-17,22H,2-3,18-21,23H2,1H3,(H,33,35)
InChIKeyMCTQVUMDAXRQGN-UHFFFAOYSA-N
XLogP6.50
TPSA63.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.65
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(4-methylphenyl)methoxy]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 5-[3-[(4-methylphenyl)methoxy]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 59589868) is 5-[3-[(4-methylphenyl)methoxy]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-[(4-methylphenyl)methoxy]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 5-[3-[(4-methylphenyl)methoxy]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Cc1ccc(COc2cccc(-c3cccc4nc(Nc5ccc(OCCN6CCCC6)cc5)nn34)c2)cc1.
What is the InChIKey of 5-[3-[(4-methylphenyl)methoxy]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is MCTQVUMDAXRQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N5O2/c1-24-10-12-25(13-11-24)23-39-29-7-4-6-26(22-29)30-8-5-9-31-34-32(35-37(30)31)33-27-14-16-28(17-15-27)38-21-20-36-18-2-3-19-36/h4-17,22H,2-3,18-21,23H2,1H3,(H,33,35).
What are the key properties of 5-[3-[(4-methylphenyl)methoxy]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
5-[3-[(4-methylphenyl)methoxy]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 519.65 g/mol, XLogP of 6.50, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(4-methylphenyl)methoxy]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 59589868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).