2-[5-[2-chloro-5-[(3-fluoro-2-pyridinyl)oxy]phenyl]pyrazin-2-yl]-1-(4-methyl-3-pyridinyl)ethanone

C23H16ClFN4O2 — CID 149184392

About 2-[5-[2-chloro-5-[(3-fluoro-2-pyridinyl)oxy]phenyl]pyrazin-2-yl]-1-(4-methyl-3-pyridinyl)ethanone

2-[5-[2-chloro-5-[(3-fluoro-2-pyridinyl)oxy]phenyl]pyrazin-2-yl]-1-(4-methyl-3-pyridinyl)ethanone (PubChem CID 149184392) has the molecular formula C23H16ClFN4O2 and a molecular weight of 434.86 g/mol. Its IUPAC name is 2-[5-[2-chloro-5-[(3-fluoro-2-pyridinyl)oxy]phenyl]pyrazin-2-yl]-1-(4-methyl-3-pyridinyl)ethanone.

Molecular Properties

• Compound Name: 2-[5-[2-chloro-5-[(3-fluoro-2-pyridinyl)oxy]phenyl]pyrazin-2-yl]-1-(4-methyl-3-pyridinyl)ethanone
• PubChem CID: 149184392
• Molecular Formula: C23H16ClFN4O2
• Molecular Weight: 434.86 g/mol
• Exact Mass: 434.09
• IUPAC Name: 2-[5-[2-chloro-5-[(3-fluoro-2-pyridinyl)oxy]phenyl]pyrazin-2-yl]-1-(4-methyl-3-pyridinyl)ethanone
• SMILES: Cc1ccncc1C(=O)Cc1cnc(-c2cc(Oc3ncccc3F)ccc2Cl)cn1
• InChI: InChI=1S/C23H16ClFN4O2/c1-14-6-8-26-12-18(14)22(30)9-15-11-29-21(13-28-15)17-10-16(4-5-19(17)24)31-23-20(25)3-2-7-27-23/h2-8,10-13H,9H2,1H3
• InChIKey: XBOYMUKPZBSVFU-UHFFFAOYSA-N
• XLogP: 5.25
• TPSA: 77.86 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	434.86
LogP ≤ 5	5.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-chloro-5-[(3-fluoro-2-pyridinyl)oxy]phenyl]pyrazin-2-yl]-1-(4-methyl-3-pyridinyl)ethanone?

The IUPAC name of 2-[5-[2-chloro-5-[(3-fluoro-2-pyridinyl)oxy]phenyl]pyrazin-2-yl]-1-(4-methyl-3-pyridinyl)ethanone (CID 149184392) is 2-[5-[2-chloro-5-[(3-fluoro-2-pyridinyl)oxy]phenyl]pyrazin-2-yl]-1-(4-methyl-3-pyridinyl)ethanone.

What is the SMILES notation for 2-[5-[2-chloro-5-[(3-fluoro-2-pyridinyl)oxy]phenyl]pyrazin-2-yl]-1-(4-methyl-3-pyridinyl)ethanone?

The canonical SMILES for 2-[5-[2-chloro-5-[(3-fluoro-2-pyridinyl)oxy]phenyl]pyrazin-2-yl]-1-(4-methyl-3-pyridinyl)ethanone is Cc1ccncc1C(=O)Cc1cnc(-c2cc(Oc3ncccc3F)ccc2Cl)cn1.

What is the InChIKey of 2-[5-[2-chloro-5-[(3-fluoro-2-pyridinyl)oxy]phenyl]pyrazin-2-yl]-1-(4-methyl-3-pyridinyl)ethanone?

The InChIKey is XBOYMUKPZBSVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClFN4O2/c1-14-6-8-26-12-18(14)22(30)9-15-11-29-21(13-28-15)17-10-16(4-5-19(17)24)31-23-20(25)3-2-7-27-23/h2-8,10-13H,9H2,1H3.

What are the key properties of 2-[5-[2-chloro-5-[(3-fluoro-2-pyridinyl)oxy]phenyl]pyrazin-2-yl]-1-(4-methyl-3-pyridinyl)ethanone?

2-[5-[2-chloro-5-[(3-fluoro-2-pyridinyl)oxy]phenyl]pyrazin-2-yl]-1-(4-methyl-3-pyridinyl)ethanone has a molecular weight of 434.86 g/mol, XLogP of 5.25, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[2-chloro-5-[(3-fluoro-2-pyridinyl)oxy]phenyl]pyrazin-2-yl]-1-(4-methyl-3-pyridinyl)ethanone is sourced from PubChem (CID 149184392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).