1-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]piperidin-4-amine

C20H20N6 — CID 46178825

IUPAC1-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]piperidin-4-amine
SMILESNC1CCN(c2cccc3ccc(-c4nnc5ccccn45)nc23)CC1
InChIInChI=1S/C20H20N6/c21-15-9-12-25(13-10-15)17-5-3-4-14-7-8-16(22-19(14)17)20-24-23-18-6-1-2-11-26(18)20/h1-8,11,15H,9-10,12-13,21H2
InChIKeyUZZBOVBDAIYFDQ-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.87
Rot. Bonds2

About 1-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]piperidin-4-amine

1-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]piperidin-4-amine (PubChem CID 46178825) has the molecular formula C20H20N6 and a molecular weight of 344.42 g/mol. Its IUPAC name is 1-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]piperidin-4-amine
PubChem CID46178825
Molecular FormulaC20H20N6
Molecular Weight344.42 g/mol
Exact Mass344.17
IUPAC Name1-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]piperidin-4-amine
SMILESNC1CCN(c2cccc3ccc(-c4nnc5ccccn45)nc23)CC1
InChIInChI=1S/C20H20N6/c21-15-9-12-25(13-10-15)17-5-3-4-14-7-8-16(22-19(14)17)20-24-23-18-6-1-2-11-26(18)20/h1-8,11,15H,9-10,12-13,21H2
InChIKeyUZZBOVBDAIYFDQ-UHFFFAOYSA-N
XLogP2.87
TPSA72.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]piperidin-4-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 1-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]piperidin-4-amine?
The IUPAC name of 1-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]piperidin-4-amine (CID 46178825) is 1-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]piperidin-4-amine.
What is the SMILES notation for 1-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]piperidin-4-amine?
The canonical SMILES for 1-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]piperidin-4-amine is NC1CCN(c2cccc3ccc(-c4nnc5ccccn45)nc23)CC1.
What is the InChIKey of 1-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]piperidin-4-amine?
The InChIKey is UZZBOVBDAIYFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6/c21-15-9-12-25(13-10-15)17-5-3-4-14-7-8-16(22-19(14)17)20-24-23-18-6-1-2-11-26(18)20/h1-8,11,15H,9-10,12-13,21H2.
What are the key properties of 1-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]piperidin-4-amine?
1-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]piperidin-4-amine has a molecular weight of 344.42 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]piperidin-4-amine is sourced from PubChem (CID 46178825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).