4-[3-[(2R)-2-[(5-fluoro-2-pyridinyl)oxy]propyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine

C20H20FN7O — CID 135335924

About 4-[3-[(2R)-2-[(5-fluoro-2-pyridinyl)oxy]propyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine

4-[3-[(2R)-2-[(5-fluoro-2-pyridinyl)oxy]propyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine (PubChem CID 135335924) has the molecular formula C20H20FN7O and a molecular weight of 393.43 g/mol. Its IUPAC name is 4-[3-[(2R)-2-[(5-fluoro-2-pyridinyl)oxy]propyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine.

Molecular Properties

• Compound Name: 4-[3-[(2R)-2-[(5-fluoro-2-pyridinyl)oxy]propyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
• PubChem CID: 135335924
• Molecular Formula: C20H20FN7O
• Molecular Weight: 393.43 g/mol
• Exact Mass: 393.17
• IUPAC Name: 4-[3-[(2R)-2-[(5-fluoro-2-pyridinyl)oxy]propyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
• SMILES: Cc1nc2ccc(-c3cc(N)nc(N)c3)nc2n1C[C@@H](C)Oc1ccc(F)cn1
• InChI: InChI=1S/C20H20FN7O/c1-11(29-19-6-3-14(21)9-24-19)10-28-12(2)25-16-5-4-15(26-20(16)28)13-7-17(22)27-18(23)8-13/h3-9,11H,10H2,1-2H3,(H4,22,23,27)/t11-/m1/s1
• InChIKey: FKBKKWRBKRBXRM-LLVKDONJSA-N
• XLogP: 2.97
• TPSA: 117.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.43
LogP ≤ 5	2.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(2R)-2-[(5-fluoro-2-pyridinyl)oxy]propyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine?

The IUPAC name of 4-[3-[(2R)-2-[(5-fluoro-2-pyridinyl)oxy]propyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine (CID 135335924) is 4-[3-[(2R)-2-[(5-fluoro-2-pyridinyl)oxy]propyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine.

What is the SMILES notation for 4-[3-[(2R)-2-[(5-fluoro-2-pyridinyl)oxy]propyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine?

The canonical SMILES for 4-[3-[(2R)-2-[(5-fluoro-2-pyridinyl)oxy]propyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine is Cc1nc2ccc(-c3cc(N)nc(N)c3)nc2n1C[C@@H](C)Oc1ccc(F)cn1.

What is the InChIKey of 4-[3-[(2R)-2-[(5-fluoro-2-pyridinyl)oxy]propyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine?

The InChIKey is FKBKKWRBKRBXRM-LLVKDONJSA-N. The full InChI is InChI=1S/C20H20FN7O/c1-11(29-19-6-3-14(21)9-24-19)10-28-12(2)25-16-5-4-15(26-20(16)28)13-7-17(22)27-18(23)8-13/h3-9,11H,10H2,1-2H3,(H4,22,23,27)/t11-/m1/s1.

What are the key properties of 4-[3-[(2R)-2-[(5-fluoro-2-pyridinyl)oxy]propyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine?

4-[3-[(2R)-2-[(5-fluoro-2-pyridinyl)oxy]propyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine has a molecular weight of 393.43 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[(2R)-2-[(5-fluoro-2-pyridinyl)oxy]propyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine is sourced from PubChem (CID 135335924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).