4-(2,4-difluorophenyl)-6,7-dimethylpteridine;4-[(2R)-oxan-2-yl]-1-(oxetan-3-yl)pyrazole

C₂₅H₂₆F₂N₆O₂ — CID 166122277

About 4-(2,4-difluorophenyl)-6,7-dimethylpteridine;4-[(2R)-oxan-2-yl]-1-(oxetan-3-yl)pyrazole

4-(2,4-difluorophenyl)-6,7-dimethylpteridine;4-[(2R)-oxan-2-yl]-1-(oxetan-3-yl)pyrazole (PubChem CID 166122277) has the molecular formula C₂₅H₂₆F₂N₆O₂ and a molecular weight of 480.52 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-6,7-dimethylpteridine;4-[(2R)-oxan-2-yl]-1-(oxetan-3-yl)pyrazole.

Molecular Properties

• Compound Name: 4-(2,4-difluorophenyl)-6,7-dimethylpteridine;4-[(2R)-oxan-2-yl]-1-(oxetan-3-yl)pyrazole
• PubChem CID: 166122277
• Molecular Formula: C₂₅H₂₆F₂N₆O₂
• Molecular Weight: 480.52 g/mol
• Exact Mass: 480.21
• IUPAC Name: 4-(2,4-difluorophenyl)-6,7-dimethylpteridine;4-[(2R)-oxan-2-yl]-1-(oxetan-3-yl)pyrazole
• SMILES: Cc1nc2ncnc(-c3ccc(F)cc3F)c2nc1C.c1nn(C2COC2)cc1[C@H]1CCCCO1
• InChI: InChI=1S/C14H10F2N4.C11H16N2O2/c1-7-8(2)20-14-13(19-7)12(17-6-18-14)10-4-3-9(15)5-11(10)16;1-2-4-15-11(3-1)9-5-12-13(6-9)10-7-14-8-10/h3-6H,1-2H3;5-6,10-11H,1-4,7-8H2/t;11-/m.1/s1
• InChIKey: FATPMQGLAFPRHE-HVZQFPCNSA-N
• XLogP: 4.68
• TPSA: 87.84 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.52
LogP ≤ 5	4.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-6,7-dimethylpteridine;4-[(2R)-oxan-2-yl]-1-(oxetan-3-yl)pyrazole?

The IUPAC name of 4-(2,4-difluorophenyl)-6,7-dimethylpteridine;4-[(2R)-oxan-2-yl]-1-(oxetan-3-yl)pyrazole (CID 166122277) is 4-(2,4-difluorophenyl)-6,7-dimethylpteridine;4-[(2R)-oxan-2-yl]-1-(oxetan-3-yl)pyrazole.

What is the SMILES notation for 4-(2,4-difluorophenyl)-6,7-dimethylpteridine;4-[(2R)-oxan-2-yl]-1-(oxetan-3-yl)pyrazole?

The canonical SMILES for 4-(2,4-difluorophenyl)-6,7-dimethylpteridine;4-[(2R)-oxan-2-yl]-1-(oxetan-3-yl)pyrazole is Cc1nc2ncnc(-c3ccc(F)cc3F)c2nc1C.c1nn(C2COC2)cc1[C@H]1CCCCO1.

What is the InChIKey of 4-(2,4-difluorophenyl)-6,7-dimethylpteridine;4-[(2R)-oxan-2-yl]-1-(oxetan-3-yl)pyrazole?

The InChIKey is FATPMQGLAFPRHE-HVZQFPCNSA-N. The full InChI is InChI=1S/C14H10F2N4.C11H16N2O2/c1-7-8(2)20-14-13(19-7)12(17-6-18-14)10-4-3-9(15)5-11(10)16;1-2-4-15-11(3-1)9-5-12-13(6-9)10-7-14-8-10/h3-6H,1-2H3;5-6,10-11H,1-4,7-8H2/t;11-/m.1/s1.

What are the key properties of 4-(2,4-difluorophenyl)-6,7-dimethylpteridine;4-[(2R)-oxan-2-yl]-1-(oxetan-3-yl)pyrazole?

4-(2,4-difluorophenyl)-6,7-dimethylpteridine;4-[(2R)-oxan-2-yl]-1-(oxetan-3-yl)pyrazole has a molecular weight of 480.52 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2,4-difluorophenyl)-6,7-dimethylpteridine;4-[(2R)-oxan-2-yl]-1-(oxetan-3-yl)pyrazole is sourced from PubChem (CID 166122277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 166122277 — identifiers, structure, computed properties (public domain)

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