[4-[2-(2-amino-3-pyridinyl)-6-fluoroimidazo[4,5-b]pyridin-3-yl]phenyl]methyl acetate

C20H16FN5O2 — CID 171495972

About [4-[2-(2-amino-3-pyridinyl)-6-fluoroimidazo[4,5-b]pyridin-3-yl]phenyl]methyl acetate

[4-[2-(2-amino-3-pyridinyl)-6-fluoroimidazo[4,5-b]pyridin-3-yl]phenyl]methyl acetate (PubChem CID 171495972) has the molecular formula C20H16FN5O2 and a molecular weight of 377.38 g/mol. Its IUPAC name is [4-[2-(2-amino-3-pyridinyl)-6-fluoroimidazo[4,5-b]pyridin-3-yl]phenyl]methyl acetate.

Molecular Properties

• Compound Name: [4-[2-(2-amino-3-pyridinyl)-6-fluoroimidazo[4,5-b]pyridin-3-yl]phenyl]methyl acetate
• PubChem CID: 171495972
• Molecular Formula: C20H16FN5O2
• Molecular Weight: 377.38 g/mol
• Exact Mass: 377.13
• IUPAC Name: [4-[2-(2-amino-3-pyridinyl)-6-fluoroimidazo[4,5-b]pyridin-3-yl]phenyl]methyl acetate
• SMILES: CC(=O)OCc1ccc(-n2c(-c3cccnc3N)nc3cc(F)cnc32)cc1
• InChI: InChI=1S/C20H16FN5O2/c1-12(27)28-11-13-4-6-15(7-5-13)26-19(16-3-2-8-23-18(16)22)25-17-9-14(21)10-24-20(17)26/h2-10H,11H2,1H3,(H2,22,23)
• InChIKey: XADJZMJEXRKGAF-UHFFFAOYSA-N
• XLogP: 3.27
• TPSA: 95.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.38
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [4-[2-(2-amino-3-pyridinyl)-6-fluoroimidazo[4,5-b]pyridin-3-yl]phenyl]methyl acetate?

The IUPAC name of [4-[2-(2-amino-3-pyridinyl)-6-fluoroimidazo[4,5-b]pyridin-3-yl]phenyl]methyl acetate (CID 171495972) is [4-[2-(2-amino-3-pyridinyl)-6-fluoroimidazo[4,5-b]pyridin-3-yl]phenyl]methyl acetate.

What is the SMILES notation for [4-[2-(2-amino-3-pyridinyl)-6-fluoroimidazo[4,5-b]pyridin-3-yl]phenyl]methyl acetate?

The canonical SMILES for [4-[2-(2-amino-3-pyridinyl)-6-fluoroimidazo[4,5-b]pyridin-3-yl]phenyl]methyl acetate is CC(=O)OCc1ccc(-n2c(-c3cccnc3N)nc3cc(F)cnc32)cc1.

What is the InChIKey of [4-[2-(2-amino-3-pyridinyl)-6-fluoroimidazo[4,5-b]pyridin-3-yl]phenyl]methyl acetate?

The InChIKey is XADJZMJEXRKGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O2/c1-12(27)28-11-13-4-6-15(7-5-13)26-19(16-3-2-8-23-18(16)22)25-17-9-14(21)10-24-20(17)26/h2-10H,11H2,1H3,(H2,22,23).

What are the key properties of [4-[2-(2-amino-3-pyridinyl)-6-fluoroimidazo[4,5-b]pyridin-3-yl]phenyl]methyl acetate?

[4-[2-(2-amino-3-pyridinyl)-6-fluoroimidazo[4,5-b]pyridin-3-yl]phenyl]methyl acetate has a molecular weight of 377.38 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[2-(2-amino-3-pyridinyl)-6-fluoroimidazo[4,5-b]pyridin-3-yl]phenyl]methyl acetate is sourced from PubChem (CID 171495972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).