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

C25H26F2N6O2 — CID 166122277

IUPAC4-(2,4-difluorophenyl)-6,7-dimethylpteridine;4-[(2R)-oxan-2-yl]-1-(oxetan-3-yl)pyrazole
SMILESCc1nc2ncnc(-c3ccc(F)cc3F)c2nc1C.c1nn(C2COC2)cc1[C@H]1CCCCO1
InChIInChI=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
InChIKeyFATPMQGLAFPRHE-HVZQFPCNSA-N
MW480.52 g/mol
LogP4.68
Rot. Bonds3

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 Name4-(2,4-difluorophenyl)-6,7-dimethylpteridine;4-[(2R)-oxan-2-yl]-1-(oxetan-3-yl)pyrazole
PubChem CID166122277
Molecular FormulaC25H26F2N6O2
Molecular Weight480.52 g/mol
Exact Mass480.21
IUPAC Name4-(2,4-difluorophenyl)-6,7-dimethylpteridine;4-[(2R)-oxan-2-yl]-1-(oxetan-3-yl)pyrazole
SMILESCc1nc2ncnc(-c3ccc(F)cc3F)c2nc1C.c1nn(C2COC2)cc1[C@H]1CCCCO1
InChIInChI=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
InChIKeyFATPMQGLAFPRHE-HVZQFPCNSA-N
XLogP4.68
TPSA87.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.52
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Related Compounds

1-cyclopropyl-4-(oxan-2-yl)pyrazole;4-(2-fluoro-4-methoxyphenyl)-6,7-dimethylpteridine
CID 166122263
4-(2,4-difluorophenyl)-6,7-dimethylpteridine;1-(2-fluoroethyl)-4-(oxan-2-yl)pyrazole
CID 166122042
6-chloro-4-(2,4-difluorophenyl)-7-methylpyrido[2,3-d]pyrimidine;1-cyclopropyl-4-(oxan-2-yl)pyrazole
CID 166122557
4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridine;1-cyclopropyl-4-(4-fluorooxan-2-yl)pyrazole
CID 166122886
1-cyclopropylpyrazole;4-(2,4-difluorophenyl)-6,7-dimethylpteridine;oxepane
CID 166122534
4-(4-chloro-2-fluorophenyl)-7-(2,2,2-trifluoroethyl)pteridine;1-cyclopropyl-4-(oxan-2-yl)pyrazole
CID 166122429
5-cyclopropyl-1,2,4-oxadiazole;4-(2,4-difluorophenyl)-6,7-dimethylpteridine;oxane
CID 166122679
2-[(2R,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-4-(2,4-difluorophenyl)-6-methoxy-7-methylpteridine
CID 166123010
4-(4-chloro-2-fluorophenyl)-7-methylpteridine;2-methyl-4-(oxan-2-yl)pyridine
CID 157044908
CID 166122412
CID 166122412
2-[(2R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-6,7-dimethyl-4-(2,4,6-trifluorophenyl)pteridine
CID 166121798
7-[(2R,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-5-(2,4-difluorophenyl)-2-methylpyrido[3,4-b]pyrazine
CID 157045292

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).