4-[6-(4-ethylpiperidin-1-yl)-3-(6-fluoro-1-methylbenzimidazol-5-yl)pyrazin-2-yl]-2-fluorobenzonitrile

C26H24F2N6 — CID 147695599

About 4-[6-(4-ethylpiperidin-1-yl)-3-(6-fluoro-1-methylbenzimidazol-5-yl)pyrazin-2-yl]-2-fluorobenzonitrile

4-[6-(4-ethylpiperidin-1-yl)-3-(6-fluoro-1-methylbenzimidazol-5-yl)pyrazin-2-yl]-2-fluorobenzonitrile (PubChem CID 147695599) has the molecular formula C26H24F2N6 and a molecular weight of 458.52 g/mol. Its IUPAC name is 4-[6-(4-ethylpiperidin-1-yl)-3-(6-fluoro-1-methylbenzimidazol-5-yl)pyrazin-2-yl]-2-fluorobenzonitrile.

Molecular Properties

• Compound Name: 4-[6-(4-ethylpiperidin-1-yl)-3-(6-fluoro-1-methylbenzimidazol-5-yl)pyrazin-2-yl]-2-fluorobenzonitrile
• PubChem CID: 147695599
• Molecular Formula: C26H24F2N6
• Molecular Weight: 458.52 g/mol
• Exact Mass: 458.20
• IUPAC Name: 4-[6-(4-ethylpiperidin-1-yl)-3-(6-fluoro-1-methylbenzimidazol-5-yl)pyrazin-2-yl]-2-fluorobenzonitrile
• SMILES: CCC1CCN(c2cnc(-c3cc4ncn(C)c4cc3F)c(-c3ccc(C#N)c(F)c3)n2)CC1
• InChI: InChI=1S/C26H24F2N6/c1-3-16-6-8-34(9-7-16)24-14-30-26(19-11-22-23(12-21(19)28)33(2)15-31-22)25(32-24)17-4-5-18(13-29)20(27)10-17/h4-5,10-12,14-16H,3,6-9H2,1-2H3
• InChIKey: GRVKGQNJIYZCNY-UHFFFAOYSA-N
• XLogP: 5.47
• TPSA: 70.63 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	458.52
LogP ≤ 5	5.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-ethylpiperidin-1-yl)-3-(6-fluoro-1-methylbenzimidazol-5-yl)pyrazin-2-yl]-2-fluorobenzonitrile?

The IUPAC name of 4-[6-(4-ethylpiperidin-1-yl)-3-(6-fluoro-1-methylbenzimidazol-5-yl)pyrazin-2-yl]-2-fluorobenzonitrile (CID 147695599) is 4-[6-(4-ethylpiperidin-1-yl)-3-(6-fluoro-1-methylbenzimidazol-5-yl)pyrazin-2-yl]-2-fluorobenzonitrile.

What is the SMILES notation for 4-[6-(4-ethylpiperidin-1-yl)-3-(6-fluoro-1-methylbenzimidazol-5-yl)pyrazin-2-yl]-2-fluorobenzonitrile?

The canonical SMILES for 4-[6-(4-ethylpiperidin-1-yl)-3-(6-fluoro-1-methylbenzimidazol-5-yl)pyrazin-2-yl]-2-fluorobenzonitrile is CCC1CCN(c2cnc(-c3cc4ncn(C)c4cc3F)c(-c3ccc(C#N)c(F)c3)n2)CC1.

What is the InChIKey of 4-[6-(4-ethylpiperidin-1-yl)-3-(6-fluoro-1-methylbenzimidazol-5-yl)pyrazin-2-yl]-2-fluorobenzonitrile?

The InChIKey is GRVKGQNJIYZCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F2N6/c1-3-16-6-8-34(9-7-16)24-14-30-26(19-11-22-23(12-21(19)28)33(2)15-31-22)25(32-24)17-4-5-18(13-29)20(27)10-17/h4-5,10-12,14-16H,3,6-9H2,1-2H3.

What are the key properties of 4-[6-(4-ethylpiperidin-1-yl)-3-(6-fluoro-1-methylbenzimidazol-5-yl)pyrazin-2-yl]-2-fluorobenzonitrile?

4-[6-(4-ethylpiperidin-1-yl)-3-(6-fluoro-1-methylbenzimidazol-5-yl)pyrazin-2-yl]-2-fluorobenzonitrile has a molecular weight of 458.52 g/mol, XLogP of 5.47, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-(4-ethylpiperidin-1-yl)-3-(6-fluoro-1-methylbenzimidazol-5-yl)pyrazin-2-yl]-2-fluorobenzonitrile is sourced from PubChem (CID 147695599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).