(2R)-2-(1,3-dimethylpyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;ethene

C₂₃H₂₄F₃N₇O — CID 153331661

About (2R)-2-(1,3-dimethylpyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;ethene

(2R)-2-(1,3-dimethylpyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;ethene (PubChem CID 153331661) has the molecular formula C₂₃H₂₄F₃N₇O and a molecular weight of 471.49 g/mol. Its IUPAC name is (2R)-2-(1,3-dimethylpyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;ethene.

Molecular Properties

• Compound Name: (2R)-2-(1,3-dimethylpyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;ethene
• PubChem CID: 153331661
• Molecular Formula: C₂₃H₂₄F₃N₇O
• Molecular Weight: 471.49 g/mol
• Exact Mass: 471.20
• IUPAC Name: (2R)-2-(1,3-dimethylpyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;ethene
• SMILES: C=C.Cc1nn(C)cc1[C@@H]1CN(c2nccc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CCO1
• InChI: InChI=1S/C21H20F3N7O.C2H4/c1-13-15(11-29(2)28-13)18-12-30(7-8-32-18)20-25-6-5-16(27-20)17-9-26-19-4-3-14(10-31(17)19)21(22,23)24;1-2/h3-6,9-11,18H,7-8,12H2,1-2H3;1-2H2/t18-;/m0./s1
• InChIKey: RDZIYXUSDCZZRA-FERBBOLQSA-N
• XLogP: 4.23
• TPSA: 73.37 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.49
LogP ≤ 5	4.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1,3-dimethylpyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;ethene?

The IUPAC name of (2R)-2-(1,3-dimethylpyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;ethene (CID 153331661) is (2R)-2-(1,3-dimethylpyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;ethene.

What is the SMILES notation for (2R)-2-(1,3-dimethylpyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;ethene?

The canonical SMILES for (2R)-2-(1,3-dimethylpyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;ethene is C=C.Cc1nn(C)cc1[C@@H]1CN(c2nccc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CCO1.

What is the InChIKey of (2R)-2-(1,3-dimethylpyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;ethene?

The InChIKey is RDZIYXUSDCZZRA-FERBBOLQSA-N. The full InChI is InChI=1S/C21H20F3N7O.C2H4/c1-13-15(11-29(2)28-13)18-12-30(7-8-32-18)20-25-6-5-16(27-20)17-9-26-19-4-3-14(10-31(17)19)21(22,23)24;1-2/h3-6,9-11,18H,7-8,12H2,1-2H3;1-2H2/t18-;/m0./s1.

What are the key properties of (2R)-2-(1,3-dimethylpyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;ethene?

(2R)-2-(1,3-dimethylpyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;ethene has a molecular weight of 471.49 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-(1,3-dimethylpyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;ethene is sourced from PubChem (CID 153331661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 153331661 — identifiers, structure, computed properties (public domain)

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