[3-[3-(2,2-difluoro-1-hydroxyethyl)imidazo[1,2-a]pyrazin-8-yl]oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone

C22H21F2N7O3 — CID 145108195

About [3-[3-(2,2-difluoro-1-hydroxyethyl)imidazo[1,2-a]pyrazin-8-yl]oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone

[3-[3-(2,2-difluoro-1-hydroxyethyl)imidazo[1,2-a]pyrazin-8-yl]oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone (PubChem CID 145108195) has the molecular formula C22H21F2N7O3 and a molecular weight of 469.45 g/mol. Its IUPAC name is [3-[3-(2,2-difluoro-1-hydroxyethyl)imidazo[1,2-a]pyrazin-8-yl]oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone.

Molecular Properties

• Compound Name: [3-[3-(2,2-difluoro-1-hydroxyethyl)imidazo[1,2-a]pyrazin-8-yl]oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
• PubChem CID: 145108195
• Molecular Formula: C22H21F2N7O3
• Molecular Weight: 469.45 g/mol
• Exact Mass: 469.17
• IUPAC Name: [3-[3-(2,2-difluoro-1-hydroxyethyl)imidazo[1,2-a]pyrazin-8-yl]oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
• SMILES: O=C(c1ccccc1-n1nccn1)N1CCCC(Oc2nccn3c(C(O)C(F)F)cnc23)C1
• InChI: InChI=1S/C22H21F2N7O3/c23-19(24)18(32)17-12-26-20-21(25-9-11-30(17)20)34-14-4-3-10-29(13-14)22(33)15-5-1-2-6-16(15)31-27-7-8-28-31/h1-2,5-9,11-12,14,18-19,32H,3-4,10,13H2
• InChIKey: SBSHGBPOIBFXSY-UHFFFAOYSA-N
• XLogP: 2.29
• TPSA: 110.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.45
LogP ≤ 5	2.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of [3-[3-(2,2-difluoro-1-hydroxyethyl)imidazo[1,2-a]pyrazin-8-yl]oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone?

The IUPAC name of [3-[3-(2,2-difluoro-1-hydroxyethyl)imidazo[1,2-a]pyrazin-8-yl]oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone (CID 145108195) is [3-[3-(2,2-difluoro-1-hydroxyethyl)imidazo[1,2-a]pyrazin-8-yl]oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone.

What is the SMILES notation for [3-[3-(2,2-difluoro-1-hydroxyethyl)imidazo[1,2-a]pyrazin-8-yl]oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone?

The canonical SMILES for [3-[3-(2,2-difluoro-1-hydroxyethyl)imidazo[1,2-a]pyrazin-8-yl]oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone is O=C(c1ccccc1-n1nccn1)N1CCCC(Oc2nccn3c(C(O)C(F)F)cnc23)C1.

What is the InChIKey of [3-[3-(2,2-difluoro-1-hydroxyethyl)imidazo[1,2-a]pyrazin-8-yl]oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone?

The InChIKey is SBSHGBPOIBFXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N7O3/c23-19(24)18(32)17-12-26-20-21(25-9-11-30(17)20)34-14-4-3-10-29(13-14)22(33)15-5-1-2-6-16(15)31-27-7-8-28-31/h1-2,5-9,11-12,14,18-19,32H,3-4,10,13H2.

What are the key properties of [3-[3-(2,2-difluoro-1-hydroxyethyl)imidazo[1,2-a]pyrazin-8-yl]oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone?

[3-[3-(2,2-difluoro-1-hydroxyethyl)imidazo[1,2-a]pyrazin-8-yl]oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone has a molecular weight of 469.45 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[3-(2,2-difluoro-1-hydroxyethyl)imidazo[1,2-a]pyrazin-8-yl]oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone is sourced from PubChem (CID 145108195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).