8-(4-fluoropiperidin-1-yl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C22H24FN7O — CID 53340581

About 8-(4-fluoropiperidin-1-yl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

8-(4-fluoropiperidin-1-yl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 53340581) has the molecular formula C22H24FN7O and a molecular weight of 421.48 g/mol. Its IUPAC name is 8-(4-fluoropiperidin-1-yl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

• Compound Name: 8-(4-fluoropiperidin-1-yl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
• PubChem CID: 53340581
• Molecular Formula: C22H24FN7O
• Molecular Weight: 421.48 g/mol
• Exact Mass: 421.20
• IUPAC Name: 8-(4-fluoropiperidin-1-yl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
• SMILES: COc1cc(Nc2nc3c(N4CCC(F)CC4)cccn3n2)ccc1-n1cnc(C)c1
• InChI: InChI=1S/C22H24FN7O/c1-15-13-29(14-24-15)18-6-5-17(12-20(18)31-2)25-22-26-21-19(4-3-9-30(21)27-22)28-10-7-16(23)8-11-28/h3-6,9,12-14,16H,7-8,10-11H2,1-2H3,(H,25,27)
• InChIKey: WVFWFGJKEBDZNH-UHFFFAOYSA-N
• XLogP: 3.91
• TPSA: 72.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.48
LogP ≤ 5	3.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 8-(4-fluoropiperidin-1-yl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?

The IUPAC name of 8-(4-fluoropiperidin-1-yl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 53340581) is 8-(4-fluoropiperidin-1-yl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

What is the SMILES notation for 8-(4-fluoropiperidin-1-yl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?

The canonical SMILES for 8-(4-fluoropiperidin-1-yl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is COc1cc(Nc2nc3c(N4CCC(F)CC4)cccn3n2)ccc1-n1cnc(C)c1.

What is the InChIKey of 8-(4-fluoropiperidin-1-yl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?

The InChIKey is WVFWFGJKEBDZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN7O/c1-15-13-29(14-24-15)18-6-5-17(12-20(18)31-2)25-22-26-21-19(4-3-9-30(21)27-22)28-10-7-16(23)8-11-28/h3-6,9,12-14,16H,7-8,10-11H2,1-2H3,(H,25,27).

What are the key properties of 8-(4-fluoropiperidin-1-yl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?

8-(4-fluoropiperidin-1-yl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 421.48 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(4-fluoropiperidin-1-yl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 53340581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).