4-[3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-[(2S)-1-methoxypropan-2-yl]oxyphenoxy]benzonitrile

C23H20N4O3 — CID 15949489

About 4-[3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-[(2S)-1-methoxypropan-2-yl]oxyphenoxy]benzonitrile

4-[3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-[(2S)-1-methoxypropan-2-yl]oxyphenoxy]benzonitrile (PubChem CID 15949489) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is 4-[3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-[(2S)-1-methoxypropan-2-yl]oxyphenoxy]benzonitrile.

Molecular Properties

• Compound Name: 4-[3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-[(2S)-1-methoxypropan-2-yl]oxyphenoxy]benzonitrile
• PubChem CID: 15949489
• Molecular Formula: C23H20N4O3
• Molecular Weight: 400.44 g/mol
• Exact Mass: 400.15
• IUPAC Name: 4-[3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-[(2S)-1-methoxypropan-2-yl]oxyphenoxy]benzonitrile
• SMILES: COC[C@H](C)Oc1cc(Oc2ccc(C#N)cc2)cc(-c2nc3ncccc3[nH]2)c1
• InChI: InChI=1S/C23H20N4O3/c1-15(14-28-2)29-19-10-17(22-26-21-4-3-9-25-23(21)27-22)11-20(12-19)30-18-7-5-16(13-24)6-8-18/h3-12,15H,14H2,1-2H3,(H,25,26,27)/t15-/m0/s1
• InChIKey: NCTWYPDQEMGQFE-HNNXBMFYSA-N
• XLogP: 4.70
• TPSA: 93.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	400.44
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-[(2S)-1-methoxypropan-2-yl]oxyphenoxy]benzonitrile?

The IUPAC name of 4-[3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-[(2S)-1-methoxypropan-2-yl]oxyphenoxy]benzonitrile (CID 15949489) is 4-[3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-[(2S)-1-methoxypropan-2-yl]oxyphenoxy]benzonitrile.

What is the SMILES notation for 4-[3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-[(2S)-1-methoxypropan-2-yl]oxyphenoxy]benzonitrile?

The canonical SMILES for 4-[3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-[(2S)-1-methoxypropan-2-yl]oxyphenoxy]benzonitrile is COC[C@H](C)Oc1cc(Oc2ccc(C#N)cc2)cc(-c2nc3ncccc3[nH]2)c1.

What is the InChIKey of 4-[3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-[(2S)-1-methoxypropan-2-yl]oxyphenoxy]benzonitrile?

The InChIKey is NCTWYPDQEMGQFE-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H20N4O3/c1-15(14-28-2)29-19-10-17(22-26-21-4-3-9-25-23(21)27-22)11-20(12-19)30-18-7-5-16(13-24)6-8-18/h3-12,15H,14H2,1-2H3,(H,25,26,27)/t15-/m0/s1.

What are the key properties of 4-[3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-[(2S)-1-methoxypropan-2-yl]oxyphenoxy]benzonitrile?

4-[3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-[(2S)-1-methoxypropan-2-yl]oxyphenoxy]benzonitrile has a molecular weight of 400.44 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-[(2S)-1-methoxypropan-2-yl]oxyphenoxy]benzonitrile is sourced from PubChem (CID 15949489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).