[(2R,5R)-5-[3-(difluoromethyl)imidazo[1,2-a]pyrazin-8-yl]oxy-2-methylpiperidin-1-yl]-[2-(2,2,2-trifluoroethylamino)-3-pyridinyl]methanone

C₂₁H₂₁F₅N₆O₂ — CID 154732926

About [(2R,5R)-5-[3-(difluoromethyl)imidazo[1,2-a]pyrazin-8-yl]oxy-2-methylpiperidin-1-yl]-[2-(2,2,2-trifluoroethylamino)-3-pyridinyl]methanone

[(2R,5R)-5-[3-(difluoromethyl)imidazo[1,2-a]pyrazin-8-yl]oxy-2-methylpiperidin-1-yl]-[2-(2,2,2-trifluoroethylamino)-3-pyridinyl]methanone (PubChem CID 154732926) has the molecular formula C₂₁H₂₁F₅N₆O₂ and a molecular weight of 484.43 g/mol. Its IUPAC name is [(2R,5R)-5-[3-(difluoromethyl)imidazo[1,2-a]pyrazin-8-yl]oxy-2-methylpiperidin-1-yl]-[2-(2,2,2-trifluoroethylamino)-3-pyridinyl]methanone.

Molecular Properties

• Compound Name: [(2R,5R)-5-[3-(difluoromethyl)imidazo[1,2-a]pyrazin-8-yl]oxy-2-methylpiperidin-1-yl]-[2-(2,2,2-trifluoroethylamino)-3-pyridinyl]methanone
• PubChem CID: 154732926
• Molecular Formula: C₂₁H₂₁F₅N₆O₂
• Molecular Weight: 484.43 g/mol
• Exact Mass: 484.16
• IUPAC Name: [(2R,5R)-5-[3-(difluoromethyl)imidazo[1,2-a]pyrazin-8-yl]oxy-2-methylpiperidin-1-yl]-[2-(2,2,2-trifluoroethylamino)-3-pyridinyl]methanone
• SMILES: C[C@@H]1CC[C@@H](Oc2nccn3c(C(F)F)cnc23)CN1C(=O)c1cccnc1NCC(F)(F)F
• InChI: InChI=1S/C21H21F5N6O2/c1-12-4-5-13(34-19-18-29-9-15(16(22)23)31(18)8-7-28-19)10-32(12)20(33)14-3-2-6-27-17(14)30-11-21(24,25)26/h2-3,6-9,12-13,16H,4-5,10-11H2,1H3,(H,27,30)/t12-,13-/m1/s1
• InChIKey: YIPVYUSDYSQSIL-CHWSQXEVSA-N
• XLogP: 4.11
• TPSA: 84.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.43
LogP ≤ 5	4.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [(2R,5R)-5-[3-(difluoromethyl)imidazo[1,2-a]pyrazin-8-yl]oxy-2-methylpiperidin-1-yl]-[2-(2,2,2-trifluoroethylamino)-3-pyridinyl]methanone?

The IUPAC name of [(2R,5R)-5-[3-(difluoromethyl)imidazo[1,2-a]pyrazin-8-yl]oxy-2-methylpiperidin-1-yl]-[2-(2,2,2-trifluoroethylamino)-3-pyridinyl]methanone (CID 154732926) is [(2R,5R)-5-[3-(difluoromethyl)imidazo[1,2-a]pyrazin-8-yl]oxy-2-methylpiperidin-1-yl]-[2-(2,2,2-trifluoroethylamino)-3-pyridinyl]methanone.

What is the SMILES notation for [(2R,5R)-5-[3-(difluoromethyl)imidazo[1,2-a]pyrazin-8-yl]oxy-2-methylpiperidin-1-yl]-[2-(2,2,2-trifluoroethylamino)-3-pyridinyl]methanone?

The canonical SMILES for [(2R,5R)-5-[3-(difluoromethyl)imidazo[1,2-a]pyrazin-8-yl]oxy-2-methylpiperidin-1-yl]-[2-(2,2,2-trifluoroethylamino)-3-pyridinyl]methanone is C[C@@H]1CC[C@@H](Oc2nccn3c(C(F)F)cnc23)CN1C(=O)c1cccnc1NCC(F)(F)F.

What is the InChIKey of [(2R,5R)-5-[3-(difluoromethyl)imidazo[1,2-a]pyrazin-8-yl]oxy-2-methylpiperidin-1-yl]-[2-(2,2,2-trifluoroethylamino)-3-pyridinyl]methanone?

The InChIKey is YIPVYUSDYSQSIL-CHWSQXEVSA-N. The full InChI is InChI=1S/C21H21F5N6O2/c1-12-4-5-13(34-19-18-29-9-15(16(22)23)31(18)8-7-28-19)10-32(12)20(33)14-3-2-6-27-17(14)30-11-21(24,25)26/h2-3,6-9,12-13,16H,4-5,10-11H2,1H3,(H,27,30)/t12-,13-/m1/s1.

What are the key properties of [(2R,5R)-5-[3-(difluoromethyl)imidazo[1,2-a]pyrazin-8-yl]oxy-2-methylpiperidin-1-yl]-[2-(2,2,2-trifluoroethylamino)-3-pyridinyl]methanone?

[(2R,5R)-5-[3-(difluoromethyl)imidazo[1,2-a]pyrazin-8-yl]oxy-2-methylpiperidin-1-yl]-[2-(2,2,2-trifluoroethylamino)-3-pyridinyl]methanone has a molecular weight of 484.43 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,5R)-5-[3-(difluoromethyl)imidazo[1,2-a]pyrazin-8-yl]oxy-2-methylpiperidin-1-yl]-[2-(2,2,2-trifluoroethylamino)-3-pyridinyl]methanone is sourced from PubChem (CID 154732926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 154732926 — identifiers, structure, computed properties (public domain)

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