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

C₂₅H₁₉FN₆O₂ — CID 177317078

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

[4-[2-(2-amino-3-pyridinyl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl acetate (PubChem CID 177317078) has the molecular formula C₂₅H₁₉FN₆O₂ and a molecular weight of 454.47 g/mol. Its IUPAC name is [4-[2-(2-amino-3-pyridinyl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl acetate.

Molecular Properties

• Compound Name: [4-[2-(2-amino-3-pyridinyl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl acetate
• PubChem CID: 177317078
• Molecular Formula: C₂₅H₁₉FN₆O₂
• Molecular Weight: 454.47 g/mol
• Exact Mass: 454.16
• IUPAC Name: [4-[2-(2-amino-3-pyridinyl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl acetate
• SMILES: CC(=O)OCc1ccc(-n2c(-c3cccnc3N)nc3ccc(-c4ccc(F)cn4)nc32)cc1
• InChI: InChI=1S/C25H19FN6O2/c1-15(33)34-14-16-4-7-18(8-5-16)32-24(19-3-2-12-28-23(19)27)31-22-11-10-21(30-25(22)32)20-9-6-17(26)13-29-20/h2-13H,14H2,1H3,(H2,27,28)
• InChIKey: PHPGFNWLLQBUBO-UHFFFAOYSA-N
• XLogP: 4.33
• TPSA: 108.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	454.47
LogP ≤ 5	4.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of [4-[2-(2-amino-3-pyridinyl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl acetate (CID 177317078) is [4-[2-(2-amino-3-pyridinyl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl acetate.

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

The canonical SMILES for [4-[2-(2-amino-3-pyridinyl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl acetate is CC(=O)OCc1ccc(-n2c(-c3cccnc3N)nc3ccc(-c4ccc(F)cn4)nc32)cc1.

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

The InChIKey is PHPGFNWLLQBUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN6O2/c1-15(33)34-14-16-4-7-18(8-5-16)32-24(19-3-2-12-28-23(19)27)31-22-11-10-21(30-25(22)32)20-9-6-17(26)13-29-20/h2-13H,14H2,1H3,(H2,27,28).

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

[4-[2-(2-amino-3-pyridinyl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl acetate has a molecular weight of 454.47 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[2-(2-amino-3-pyridinyl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl acetate is sourced from PubChem (CID 177317078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 177317078 — identifiers, structure, computed properties (public domain)

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