7-methyl-8-[(2S)-2-methyl-1-propan-2-yl-2H-imidazo[4,5-b]pyridin-3-yl]-[1]benzofuro[2,3-b]pyridine

C22H22N4O — CID 118074735

About 7-methyl-8-[(2S)-2-methyl-1-propan-2-yl-2H-imidazo[4,5-b]pyridin-3-yl]-[1]benzofuro[2,3-b]pyridine

7-methyl-8-[(2S)-2-methyl-1-propan-2-yl-2H-imidazo[4,5-b]pyridin-3-yl]-[1]benzofuro[2,3-b]pyridine (PubChem CID 118074735) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is 7-methyl-8-[(2S)-2-methyl-1-propan-2-yl-2H-imidazo[4,5-b]pyridin-3-yl]-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

• Compound Name: 7-methyl-8-[(2S)-2-methyl-1-propan-2-yl-2H-imidazo[4,5-b]pyridin-3-yl]-[1]benzofuro[2,3-b]pyridine
• PubChem CID: 118074735
• Molecular Formula: C22H22N4O
• Molecular Weight: 358.45 g/mol
• Exact Mass: 358.18
• IUPAC Name: 7-methyl-8-[(2S)-2-methyl-1-propan-2-yl-2H-imidazo[4,5-b]pyridin-3-yl]-[1]benzofuro[2,3-b]pyridine
• SMILES: Cc1ccc2c(oc3ncccc32)c1N1c2ncccc2N(C(C)C)[C@@H]1C
• InChI: InChI=1S/C22H22N4O/c1-13(2)25-15(4)26(21-18(25)8-6-11-23-21)19-14(3)9-10-16-17-7-5-12-24-22(17)27-20(16)19/h5-13,15H,1-4H3/t15-/m0/s1
• InChIKey: LOJPULXXRRLESW-HNNXBMFYSA-N
• XLogP: 5.40
• TPSA: 45.40 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	358.45
LogP ≤ 5	5.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7-methyl-8-[(2S)-2-methyl-1-propan-2-yl-2H-imidazo[4,5-b]pyridin-3-yl]-[1]benzofuro[2,3-b]pyridine?

The IUPAC name of 7-methyl-8-[(2S)-2-methyl-1-propan-2-yl-2H-imidazo[4,5-b]pyridin-3-yl]-[1]benzofuro[2,3-b]pyridine (CID 118074735) is 7-methyl-8-[(2S)-2-methyl-1-propan-2-yl-2H-imidazo[4,5-b]pyridin-3-yl]-[1]benzofuro[2,3-b]pyridine.

What is the SMILES notation for 7-methyl-8-[(2S)-2-methyl-1-propan-2-yl-2H-imidazo[4,5-b]pyridin-3-yl]-[1]benzofuro[2,3-b]pyridine?

The canonical SMILES for 7-methyl-8-[(2S)-2-methyl-1-propan-2-yl-2H-imidazo[4,5-b]pyridin-3-yl]-[1]benzofuro[2,3-b]pyridine is Cc1ccc2c(oc3ncccc32)c1N1c2ncccc2N(C(C)C)[C@@H]1C.

What is the InChIKey of 7-methyl-8-[(2S)-2-methyl-1-propan-2-yl-2H-imidazo[4,5-b]pyridin-3-yl]-[1]benzofuro[2,3-b]pyridine?

The InChIKey is LOJPULXXRRLESW-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H22N4O/c1-13(2)25-15(4)26(21-18(25)8-6-11-23-21)19-14(3)9-10-16-17-7-5-12-24-22(17)27-20(16)19/h5-13,15H,1-4H3/t15-/m0/s1.

What are the key properties of 7-methyl-8-[(2S)-2-methyl-1-propan-2-yl-2H-imidazo[4,5-b]pyridin-3-yl]-[1]benzofuro[2,3-b]pyridine?

7-methyl-8-[(2S)-2-methyl-1-propan-2-yl-2H-imidazo[4,5-b]pyridin-3-yl]-[1]benzofuro[2,3-b]pyridine has a molecular weight of 358.45 g/mol, XLogP of 5.40, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-methyl-8-[(2S)-2-methyl-1-propan-2-yl-2H-imidazo[4,5-b]pyridin-3-yl]-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 118074735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).