8-[(4-fluoropiperidin-4-yl)methoxy]-2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline

C21H19F2N5O — CID 58303635

IUPAC8-[(4-fluoropiperidin-4-yl)methoxy]-2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline
SMILESFc1ccc2nnc(-c3ccc4cccc(OCC5(F)CCNCC5)c4n3)n2c1
InChIInChI=1S/C21H19F2N5O/c22-15-5-7-18-26-27-20(28(18)12-15)16-6-4-14-2-1-3-17(19(14)25-16)29-13-21(23)8-10-24-11-9-21/h1-7,12,24H,8-11,13H2
InChIKeyDFPNYFLFFOGKAB-UHFFFAOYSA-N
MW395.41 g/mol
LogP3.55
Rot. Bonds4

About 8-[(4-fluoropiperidin-4-yl)methoxy]-2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline

8-[(4-fluoropiperidin-4-yl)methoxy]-2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline (PubChem CID 58303635) has the molecular formula C21H19F2N5O and a molecular weight of 395.41 g/mol. Its IUPAC name is 8-[(4-fluoropiperidin-4-yl)methoxy]-2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline.

Molecular Properties

Compound Name8-[(4-fluoropiperidin-4-yl)methoxy]-2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline
PubChem CID58303635
Molecular FormulaC21H19F2N5O
Molecular Weight395.41 g/mol
Exact Mass395.16
IUPAC Name8-[(4-fluoropiperidin-4-yl)methoxy]-2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline
SMILESFc1ccc2nnc(-c3ccc4cccc(OCC5(F)CCNCC5)c4n3)n2c1
InChIInChI=1S/C21H19F2N5O/c22-15-5-7-18-26-27-20(28(18)12-15)16-6-4-14-2-1-3-17(19(14)25-16)29-13-21(23)8-10-24-11-9-21/h1-7,12,24H,8-11,13H2
InChIKeyDFPNYFLFFOGKAB-UHFFFAOYSA-N
XLogP3.55
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.41
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8-[(4-fluoropiperidin-4-yl)methoxy]-2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline 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 8-[(4-fluoropiperidin-4-yl)methoxy]-2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline?
The IUPAC name of 8-[(4-fluoropiperidin-4-yl)methoxy]-2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline (CID 58303635) is 8-[(4-fluoropiperidin-4-yl)methoxy]-2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline.
What is the SMILES notation for 8-[(4-fluoropiperidin-4-yl)methoxy]-2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline?
The canonical SMILES for 8-[(4-fluoropiperidin-4-yl)methoxy]-2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline is Fc1ccc2nnc(-c3ccc4cccc(OCC5(F)CCNCC5)c4n3)n2c1.
What is the InChIKey of 8-[(4-fluoropiperidin-4-yl)methoxy]-2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline?
The InChIKey is DFPNYFLFFOGKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N5O/c22-15-5-7-18-26-27-20(28(18)12-15)16-6-4-14-2-1-3-17(19(14)25-16)29-13-21(23)8-10-24-11-9-21/h1-7,12,24H,8-11,13H2.
What are the key properties of 8-[(4-fluoropiperidin-4-yl)methoxy]-2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline?
8-[(4-fluoropiperidin-4-yl)methoxy]-2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline has a molecular weight of 395.41 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-fluoropiperidin-4-yl)methoxy]-2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline is sourced from PubChem (CID 58303635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).