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

C19H16FN5O — CID 153464793

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

8-[(2S)-1,2-dimethyl-2H-imidazo[4,5-b]pyrazin-3-yl]-2-fluoro-7-methyl-[1]benzofuro[2,3-b]pyridine (PubChem CID 153464793) has the molecular formula C19H16FN5O and a molecular weight of 349.37 g/mol. Its IUPAC name is 8-[(2S)-1,2-dimethyl-2H-imidazo[4,5-b]pyrazin-3-yl]-2-fluoro-7-methyl-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

• Compound Name: 8-[(2S)-1,2-dimethyl-2H-imidazo[4,5-b]pyrazin-3-yl]-2-fluoro-7-methyl-[1]benzofuro[2,3-b]pyridine
• PubChem CID: 153464793
• Molecular Formula: C19H16FN5O
• Molecular Weight: 349.37 g/mol
• Exact Mass: 349.13
• IUPAC Name: 8-[(2S)-1,2-dimethyl-2H-imidazo[4,5-b]pyrazin-3-yl]-2-fluoro-7-methyl-[1]benzofuro[2,3-b]pyridine
• SMILES: Cc1ccc2c(oc3nc(F)ccc32)c1N1c2nccnc2N(C)[C@@H]1C
• InChI: InChI=1S/C19H16FN5O/c1-10-4-5-12-13-6-7-14(20)23-19(13)26-16(12)15(10)25-11(2)24(3)17-18(25)22-9-8-21-17/h4-9,11H,1-3H3/t11-/m0/s1
• InChIKey: DDFOPMYVHKGXFU-NSHDSACASA-N
• XLogP: 4.15
• TPSA: 58.29 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 1
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	349.37
LogP ≤ 5	4.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 8-[(2S)-1,2-dimethyl-2H-imidazo[4,5-b]pyrazin-3-yl]-2-fluoro-7-methyl-[1]benzofuro[2,3-b]pyridine (CID 153464793) is 8-[(2S)-1,2-dimethyl-2H-imidazo[4,5-b]pyrazin-3-yl]-2-fluoro-7-methyl-[1]benzofuro[2,3-b]pyridine.

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

The canonical SMILES for 8-[(2S)-1,2-dimethyl-2H-imidazo[4,5-b]pyrazin-3-yl]-2-fluoro-7-methyl-[1]benzofuro[2,3-b]pyridine is Cc1ccc2c(oc3nc(F)ccc32)c1N1c2nccnc2N(C)[C@@H]1C.

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

The InChIKey is DDFOPMYVHKGXFU-NSHDSACASA-N. The full InChI is InChI=1S/C19H16FN5O/c1-10-4-5-12-13-6-7-14(20)23-19(13)26-16(12)15(10)25-11(2)24(3)17-18(25)22-9-8-21-17/h4-9,11H,1-3H3/t11-/m0/s1.

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

8-[(2S)-1,2-dimethyl-2H-imidazo[4,5-b]pyrazin-3-yl]-2-fluoro-7-methyl-[1]benzofuro[2,3-b]pyridine has a molecular weight of 349.37 g/mol, XLogP of 4.15, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[(2S)-1,2-dimethyl-2H-imidazo[4,5-b]pyrazin-3-yl]-2-fluoro-7-methyl-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 153464793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).