5-cyclopropyl-1,2,4-oxadiazole;4-(2,4-difluorophenyl)-6,7-dimethylpteridine;oxane

C24H26F2N6O2 — CID 166122679

IUPAC5-cyclopropyl-1,2,4-oxadiazole;4-(2,4-difluorophenyl)-6,7-dimethylpteridine;oxane
SMILESC1CCOCC1.Cc1nc2ncnc(-c3ccc(F)cc3F)c2nc1C.c1noc(C2CC2)n1
InChIInChI=1S/C14H10F2N4.C5H6N2O.C5H10O/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(1)5-6-3-7-8-5;1-2-4-6-5-3-1/h3-6H,1-2H3;3-4H,1-2H2;1-5H2
InChIKeyOZDJNTIFARNMJC-UHFFFAOYSA-N
MW468.51 g/mol
LogP5.12
Rot. Bonds2

About 5-cyclopropyl-1,2,4-oxadiazole;4-(2,4-difluorophenyl)-6,7-dimethylpteridine;oxane

5-cyclopropyl-1,2,4-oxadiazole;4-(2,4-difluorophenyl)-6,7-dimethylpteridine;oxane (PubChem CID 166122679) has the molecular formula C24H26F2N6O2 and a molecular weight of 468.51 g/mol. Its IUPAC name is 5-cyclopropyl-1,2,4-oxadiazole;4-(2,4-difluorophenyl)-6,7-dimethylpteridine;oxane.

Molecular Properties

Compound Name5-cyclopropyl-1,2,4-oxadiazole;4-(2,4-difluorophenyl)-6,7-dimethylpteridine;oxane
PubChem CID166122679
Molecular FormulaC24H26F2N6O2
Molecular Weight468.51 g/mol
Exact Mass468.21
IUPAC Name5-cyclopropyl-1,2,4-oxadiazole;4-(2,4-difluorophenyl)-6,7-dimethylpteridine;oxane
SMILESC1CCOCC1.Cc1nc2ncnc(-c3ccc(F)cc3F)c2nc1C.c1noc(C2CC2)n1
InChIInChI=1S/C14H10F2N4.C5H6N2O.C5H10O/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(1)5-6-3-7-8-5;1-2-4-6-5-3-1/h3-6H,1-2H3;3-4H,1-2H2;1-5H2
InChIKeyOZDJNTIFARNMJC-UHFFFAOYSA-N
XLogP5.12
TPSA99.71 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.51
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-cyclopropylpyrazole;4-(2,4-difluorophenyl)-6,7-dimethylpteridine;oxepane
CID 166122534
6-(difluoromethyl)-4-(2,4-difluorophenyl)-7-methylpteridine
CID 166121869
4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridine;1-methylpyrazole;oxane
CID 157044828
4-(2,4-difluorophenyl)-6,7-dimethylpteridine;4-[(2R)-oxan-2-yl]-1-(oxetan-3-yl)pyrazole
CID 166122277
4-(2,4-difluorophenyl)-6,7-dimethylpteridine;1-(2-fluoroethyl)-4-(oxan-2-yl)pyrazole
CID 166122042
1-cyclopropylpyrazole;4-[2-fluoro-4-(trifluoromethoxy)phenyl]-6,7-dimethylpteridine;oxane
CID 166123369
4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-1,4-oxazepane
CID 166122258
5-(2,4-difluorophenyl)-2,3-dimethylpyrido[3,4-b]pyrazine;2-methylpyridine;oxane
CID 157044854
4-(4-chloro-2-fluorophenyl)-6,7-dimethylpyrido[2,3-d]pyrimidine;1-cyclopropylpyrazole;oxane
CID 166122275
1-(1-bicyclo[1.1.1]pentanyl)pyrazole;4-(2,4-difluorophenyl)-6,7-dimethyl-2-(oxan-4-yl)pteridine
CID 166123038
1-cyclopropyl-4-(oxan-2-yl)pyrazole;4-(2-fluoro-4-methoxyphenyl)-6,7-dimethylpteridine
CID 166122263
4-(2,4-difluorophenyl)-6,7-dimethyl-2-(oxan-4-yl)pteridine;1-(2-fluoroethyl)pyrazole
CID 166122881

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1,2,4-oxadiazole;4-(2,4-difluorophenyl)-6,7-dimethylpteridine;oxane?
The IUPAC name of 5-cyclopropyl-1,2,4-oxadiazole;4-(2,4-difluorophenyl)-6,7-dimethylpteridine;oxane (CID 166122679) is 5-cyclopropyl-1,2,4-oxadiazole;4-(2,4-difluorophenyl)-6,7-dimethylpteridine;oxane.
What is the SMILES notation for 5-cyclopropyl-1,2,4-oxadiazole;4-(2,4-difluorophenyl)-6,7-dimethylpteridine;oxane?
The canonical SMILES for 5-cyclopropyl-1,2,4-oxadiazole;4-(2,4-difluorophenyl)-6,7-dimethylpteridine;oxane is C1CCOCC1.Cc1nc2ncnc(-c3ccc(F)cc3F)c2nc1C.c1noc(C2CC2)n1.
What is the InChIKey of 5-cyclopropyl-1,2,4-oxadiazole;4-(2,4-difluorophenyl)-6,7-dimethylpteridine;oxane?
The InChIKey is OZDJNTIFARNMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N4.C5H6N2O.C5H10O/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(1)5-6-3-7-8-5;1-2-4-6-5-3-1/h3-6H,1-2H3;3-4H,1-2H2;1-5H2.
What are the key properties of 5-cyclopropyl-1,2,4-oxadiazole;4-(2,4-difluorophenyl)-6,7-dimethylpteridine;oxane?
5-cyclopropyl-1,2,4-oxadiazole;4-(2,4-difluorophenyl)-6,7-dimethylpteridine;oxane has a molecular weight of 468.51 g/mol, XLogP of 5.12, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1,2,4-oxadiazole;4-(2,4-difluorophenyl)-6,7-dimethylpteridine;oxane is sourced from PubChem (CID 166122679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).