5-(3-hydroxy-2,6-dimethylphenyl)-2-(1H-imidazo[4,5-b]pyridin-6-yl)-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile

C22H16N6O — CID 176732989

About 5-(3-hydroxy-2,6-dimethylphenyl)-2-(1H-imidazo[4,5-b]pyridin-6-yl)-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile

5-(3-hydroxy-2,6-dimethylphenyl)-2-(1H-imidazo[4,5-b]pyridin-6-yl)-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile (PubChem CID 176732989) has the molecular formula C22H16N6O and a molecular weight of 380.41 g/mol. Its IUPAC name is 5-(3-hydroxy-2,6-dimethylphenyl)-2-(1H-imidazo[4,5-b]pyridin-6-yl)-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile.

Molecular Properties

• Compound Name: 5-(3-hydroxy-2,6-dimethylphenyl)-2-(1H-imidazo[4,5-b]pyridin-6-yl)-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile
• PubChem CID: 176732989
• Molecular Formula: C22H16N6O
• Molecular Weight: 380.41 g/mol
• Exact Mass: 380.14
• IUPAC Name: 5-(3-hydroxy-2,6-dimethylphenyl)-2-(1H-imidazo[4,5-b]pyridin-6-yl)-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile
• SMILES: Cc1ccc(O)c(C)c1-c1cnc2[nH]c(-c3cnc4nc[nH]c4c3)cc2c1C#N
• InChI: InChI=1S/C22H16N6O/c1-11-3-4-19(29)12(2)20(11)16-9-25-21-14(15(16)7-23)6-17(28-21)13-5-18-22(24-8-13)27-10-26-18/h3-6,8-10,29H,1-2H3,(H,25,28)(H,24,26,27)
• InChIKey: FGXYFUDKFWGVOH-UHFFFAOYSA-N
• XLogP: 4.36
• TPSA: 114.27 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.41
LogP ≤ 5	4.36
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxy-2,6-dimethylphenyl)-2-(1H-imidazo[4,5-b]pyridin-6-yl)-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile?

The IUPAC name of 5-(3-hydroxy-2,6-dimethylphenyl)-2-(1H-imidazo[4,5-b]pyridin-6-yl)-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile (CID 176732989) is 5-(3-hydroxy-2,6-dimethylphenyl)-2-(1H-imidazo[4,5-b]pyridin-6-yl)-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile.

What is the SMILES notation for 5-(3-hydroxy-2,6-dimethylphenyl)-2-(1H-imidazo[4,5-b]pyridin-6-yl)-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile?

The canonical SMILES for 5-(3-hydroxy-2,6-dimethylphenyl)-2-(1H-imidazo[4,5-b]pyridin-6-yl)-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile is Cc1ccc(O)c(C)c1-c1cnc2[nH]c(-c3cnc4nc[nH]c4c3)cc2c1C#N.

What is the InChIKey of 5-(3-hydroxy-2,6-dimethylphenyl)-2-(1H-imidazo[4,5-b]pyridin-6-yl)-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile?

The InChIKey is FGXYFUDKFWGVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N6O/c1-11-3-4-19(29)12(2)20(11)16-9-25-21-14(15(16)7-23)6-17(28-21)13-5-18-22(24-8-13)27-10-26-18/h3-6,8-10,29H,1-2H3,(H,25,28)(H,24,26,27).

What are the key properties of 5-(3-hydroxy-2,6-dimethylphenyl)-2-(1H-imidazo[4,5-b]pyridin-6-yl)-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile?

5-(3-hydroxy-2,6-dimethylphenyl)-2-(1H-imidazo[4,5-b]pyridin-6-yl)-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile has a molecular weight of 380.41 g/mol, XLogP of 4.36, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3-hydroxy-2,6-dimethylphenyl)-2-(1H-imidazo[4,5-b]pyridin-6-yl)-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile is sourced from PubChem (CID 176732989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).