4-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxypiperidine-2-carboxylic acid

C21H19N5O3 — CID 67231057

IUPAC4-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxypiperidine-2-carboxylic acid
SMILESO=C(O)C1CC(Oc2cccc3ccc(-c4nnc5ccccn45)nc23)CCN1
InChIInChI=1S/C21H19N5O3/c27-21(28)16-12-14(9-10-22-16)29-17-5-3-4-13-7-8-15(23-19(13)17)20-25-24-18-6-1-2-11-26(18)20/h1-8,11,14,16,22H,9-10,12H2,(H,27,28)
InChIKeySPGBZDWPSFBMFR-UHFFFAOYSA-N
MW389.42 g/mol
LogP2.53
Rot. Bonds4

About 4-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxypiperidine-2-carboxylic acid

4-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxypiperidine-2-carboxylic acid (PubChem CID 67231057) has the molecular formula C21H19N5O3 and a molecular weight of 389.42 g/mol. Its IUPAC name is 4-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxypiperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxypiperidine-2-carboxylic acid
PubChem CID67231057
Molecular FormulaC21H19N5O3
Molecular Weight389.42 g/mol
Exact Mass389.15
IUPAC Name4-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxypiperidine-2-carboxylic acid
SMILESO=C(O)C1CC(Oc2cccc3ccc(-c4nnc5ccccn45)nc23)CCN1
InChIInChI=1S/C21H19N5O3/c27-21(28)16-12-14(9-10-22-16)29-17-5-3-4-13-7-8-15(23-19(13)17)20-25-24-18-6-1-2-11-26(18)20/h1-8,11,14,16,22H,9-10,12H2,(H,27,28)
InChIKeySPGBZDWPSFBMFR-UHFFFAOYSA-N
XLogP2.53
TPSA101.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxypiperidine-2-carboxylic acid 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 4-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxypiperidine-2-carboxylic acid?
The IUPAC name of 4-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxypiperidine-2-carboxylic acid (CID 67231057) is 4-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxypiperidine-2-carboxylic acid.
What is the SMILES notation for 4-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxypiperidine-2-carboxylic acid?
The canonical SMILES for 4-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxypiperidine-2-carboxylic acid is O=C(O)C1CC(Oc2cccc3ccc(-c4nnc5ccccn45)nc23)CCN1.
What is the InChIKey of 4-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxypiperidine-2-carboxylic acid?
The InChIKey is SPGBZDWPSFBMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3/c27-21(28)16-12-14(9-10-22-16)29-17-5-3-4-13-7-8-15(23-19(13)17)20-25-24-18-6-1-2-11-26(18)20/h1-8,11,14,16,22H,9-10,12H2,(H,27,28).
What are the key properties of 4-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxypiperidine-2-carboxylic acid?
4-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxypiperidine-2-carboxylic acid has a molecular weight of 389.42 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxypiperidine-2-carboxylic acid is sourced from PubChem (CID 67231057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).