[2-(2,2-difluoroethoxy)-3-pyridinyl]-[(2R,5R)-2-methyl-5-[3-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]oxypiperidin-1-yl]methanone

C21H20F5N5O3 — CID 121439813

About [2-(2,2-difluoroethoxy)-3-pyridinyl]-[(2R,5R)-2-methyl-5-[3-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]oxypiperidin-1-yl]methanone

[2-(2,2-difluoroethoxy)-3-pyridinyl]-[(2R,5R)-2-methyl-5-[3-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]oxypiperidin-1-yl]methanone (PubChem CID 121439813) has the molecular formula C21H20F5N5O3 and a molecular weight of 485.41 g/mol. Its IUPAC name is [2-(2,2-difluoroethoxy)-3-pyridinyl]-[(2R,5R)-2-methyl-5-[3-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]oxypiperidin-1-yl]methanone.

Molecular Properties

• Compound Name: [2-(2,2-difluoroethoxy)-3-pyridinyl]-[(2R,5R)-2-methyl-5-[3-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]oxypiperidin-1-yl]methanone
• PubChem CID: 121439813
• Molecular Formula: C21H20F5N5O3
• Molecular Weight: 485.41 g/mol
• Exact Mass: 485.15
• IUPAC Name: [2-(2,2-difluoroethoxy)-3-pyridinyl]-[(2R,5R)-2-methyl-5-[3-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]oxypiperidin-1-yl]methanone
• SMILES: C[C@@H]1CC[C@@H](Oc2nccn3c(C(F)(F)F)cnc23)CN1C(=O)c1cccnc1OCC(F)F
• InChI: InChI=1S/C21H20F5N5O3/c1-12-4-5-13(34-19-17-29-9-15(21(24,25)26)30(17)8-7-28-19)10-31(12)20(32)14-3-2-6-27-18(14)33-11-16(22)23/h2-3,6-9,12-13,16H,4-5,10-11H2,1H3/t12-,13-/m1/s1
• InChIKey: RRBUYFQLRRJGAX-CHWSQXEVSA-N
• XLogP: 3.86
• TPSA: 81.85 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.41
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [2-(2,2-difluoroethoxy)-3-pyridinyl]-[(2R,5R)-2-methyl-5-[3-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]oxypiperidin-1-yl]methanone?

The IUPAC name of [2-(2,2-difluoroethoxy)-3-pyridinyl]-[(2R,5R)-2-methyl-5-[3-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]oxypiperidin-1-yl]methanone (CID 121439813) is [2-(2,2-difluoroethoxy)-3-pyridinyl]-[(2R,5R)-2-methyl-5-[3-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]oxypiperidin-1-yl]methanone.

What is the SMILES notation for [2-(2,2-difluoroethoxy)-3-pyridinyl]-[(2R,5R)-2-methyl-5-[3-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]oxypiperidin-1-yl]methanone?

The canonical SMILES for [2-(2,2-difluoroethoxy)-3-pyridinyl]-[(2R,5R)-2-methyl-5-[3-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]oxypiperidin-1-yl]methanone is C[C@@H]1CC[C@@H](Oc2nccn3c(C(F)(F)F)cnc23)CN1C(=O)c1cccnc1OCC(F)F.

What is the InChIKey of [2-(2,2-difluoroethoxy)-3-pyridinyl]-[(2R,5R)-2-methyl-5-[3-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]oxypiperidin-1-yl]methanone?

The InChIKey is RRBUYFQLRRJGAX-CHWSQXEVSA-N. The full InChI is InChI=1S/C21H20F5N5O3/c1-12-4-5-13(34-19-17-29-9-15(21(24,25)26)30(17)8-7-28-19)10-31(12)20(32)14-3-2-6-27-18(14)33-11-16(22)23/h2-3,6-9,12-13,16H,4-5,10-11H2,1H3/t12-,13-/m1/s1.

What are the key properties of [2-(2,2-difluoroethoxy)-3-pyridinyl]-[(2R,5R)-2-methyl-5-[3-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]oxypiperidin-1-yl]methanone?

[2-(2,2-difluoroethoxy)-3-pyridinyl]-[(2R,5R)-2-methyl-5-[3-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]oxypiperidin-1-yl]methanone has a molecular weight of 485.41 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(2,2-difluoroethoxy)-3-pyridinyl]-[(2R,5R)-2-methyl-5-[3-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]oxypiperidin-1-yl]methanone is sourced from PubChem (CID 121439813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).