1-[[3-(8-fluoroquinolin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]pyrrolidin-3-amine

C20H19FN6 — CID 123714147

About 1-[[3-(8-fluoroquinolin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]pyrrolidin-3-amine

1-[[3-(8-fluoroquinolin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]pyrrolidin-3-amine (PubChem CID 123714147) has the molecular formula C20H19FN6 and a molecular weight of 362.41 g/mol. Its IUPAC name is 1-[[3-(8-fluoroquinolin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]pyrrolidin-3-amine.

Molecular Properties

• Compound Name: 1-[[3-(8-fluoroquinolin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]pyrrolidin-3-amine
• PubChem CID: 123714147
• Molecular Formula: C20H19FN6
• Molecular Weight: 362.41 g/mol
• Exact Mass: 362.17
• IUPAC Name: 1-[[3-(8-fluoroquinolin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]pyrrolidin-3-amine
• SMILES: NC1CCN(Cc2ccc3nnc(-c4ccc5cccc(F)c5n4)n3c2)C1
• InChI: InChI=1S/C20H19FN6/c21-16-3-1-2-14-5-6-17(23-19(14)16)20-25-24-18-7-4-13(11-27(18)20)10-26-9-8-15(22)12-26/h1-7,11,15H,8-10,12,22H2
• InChIKey: FISDDZBACCTWKT-UHFFFAOYSA-N
• XLogP: 2.62
• TPSA: 72.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	362.41
LogP ≤ 5	2.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(8-fluoroquinolin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]pyrrolidin-3-amine?

The IUPAC name of 1-[[3-(8-fluoroquinolin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]pyrrolidin-3-amine (CID 123714147) is 1-[[3-(8-fluoroquinolin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]pyrrolidin-3-amine.

What is the SMILES notation for 1-[[3-(8-fluoroquinolin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]pyrrolidin-3-amine?

The canonical SMILES for 1-[[3-(8-fluoroquinolin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]pyrrolidin-3-amine is NC1CCN(Cc2ccc3nnc(-c4ccc5cccc(F)c5n4)n3c2)C1.

What is the InChIKey of 1-[[3-(8-fluoroquinolin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]pyrrolidin-3-amine?

The InChIKey is FISDDZBACCTWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN6/c21-16-3-1-2-14-5-6-17(23-19(14)16)20-25-24-18-7-4-13(11-27(18)20)10-26-9-8-15(22)12-26/h1-7,11,15H,8-10,12,22H2.

What are the key properties of 1-[[3-(8-fluoroquinolin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]pyrrolidin-3-amine?

1-[[3-(8-fluoroquinolin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]pyrrolidin-3-amine has a molecular weight of 362.41 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[3-(8-fluoroquinolin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]pyrrolidin-3-amine is sourced from PubChem (CID 123714147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).