6-(2-fluorophenoxy)-2-(imidazo[1,2-a]pyridin-2-ylmethylamino)-8-methylpyrido[2,3-d]pyrimidin-7-one

C22H17FN6O2 — CID 20626840

About 6-(2-fluorophenoxy)-2-(imidazo[1,2-a]pyridin-2-ylmethylamino)-8-methylpyrido[2,3-d]pyrimidin-7-one

6-(2-fluorophenoxy)-2-(imidazo[1,2-a]pyridin-2-ylmethylamino)-8-methylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 20626840) has the molecular formula C22H17FN6O2 and a molecular weight of 416.42 g/mol. Its IUPAC name is 6-(2-fluorophenoxy)-2-(imidazo[1,2-a]pyridin-2-ylmethylamino)-8-methylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-(2-fluorophenoxy)-2-(imidazo[1,2-a]pyridin-2-ylmethylamino)-8-methylpyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 20626840
• Molecular Formula: C22H17FN6O2
• Molecular Weight: 416.42 g/mol
• Exact Mass: 416.14
• IUPAC Name: 6-(2-fluorophenoxy)-2-(imidazo[1,2-a]pyridin-2-ylmethylamino)-8-methylpyrido[2,3-d]pyrimidin-7-one
• SMILES: Cn1c(=O)c(Oc2ccccc2F)cc2cnc(NCc3cn4ccccc4n3)nc21
• InChI: InChI=1S/C22H17FN6O2/c1-28-20-14(10-18(21(28)30)31-17-7-3-2-6-16(17)23)11-24-22(27-20)25-12-15-13-29-9-5-4-8-19(29)26-15/h2-11,13H,12H2,1H3,(H,24,25,27)
• InChIKey: STLAUPPUUXFRJL-UHFFFAOYSA-N
• XLogP: 3.52
• TPSA: 86.34 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	416.42
LogP ≤ 5	3.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluorophenoxy)-2-(imidazo[1,2-a]pyridin-2-ylmethylamino)-8-methylpyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-(2-fluorophenoxy)-2-(imidazo[1,2-a]pyridin-2-ylmethylamino)-8-methylpyrido[2,3-d]pyrimidin-7-one (CID 20626840) is 6-(2-fluorophenoxy)-2-(imidazo[1,2-a]pyridin-2-ylmethylamino)-8-methylpyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-(2-fluorophenoxy)-2-(imidazo[1,2-a]pyridin-2-ylmethylamino)-8-methylpyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-(2-fluorophenoxy)-2-(imidazo[1,2-a]pyridin-2-ylmethylamino)-8-methylpyrido[2,3-d]pyrimidin-7-one is Cn1c(=O)c(Oc2ccccc2F)cc2cnc(NCc3cn4ccccc4n3)nc21.

What is the InChIKey of 6-(2-fluorophenoxy)-2-(imidazo[1,2-a]pyridin-2-ylmethylamino)-8-methylpyrido[2,3-d]pyrimidin-7-one?

The InChIKey is STLAUPPUUXFRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN6O2/c1-28-20-14(10-18(21(28)30)31-17-7-3-2-6-16(17)23)11-24-22(27-20)25-12-15-13-29-9-5-4-8-19(29)26-15/h2-11,13H,12H2,1H3,(H,24,25,27).

What are the key properties of 6-(2-fluorophenoxy)-2-(imidazo[1,2-a]pyridin-2-ylmethylamino)-8-methylpyrido[2,3-d]pyrimidin-7-one?

6-(2-fluorophenoxy)-2-(imidazo[1,2-a]pyridin-2-ylmethylamino)-8-methylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 416.42 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-fluorophenoxy)-2-(imidazo[1,2-a]pyridin-2-ylmethylamino)-8-methylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 20626840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).