5-(2,4-difluorophenyl)-2,3-dimethylpyrido[3,4-b]pyrazine;2-methylpyridine;oxane

C26H28F2N4O — CID 157044854

IUPAC5-(2,4-difluorophenyl)-2,3-dimethylpyrido[3,4-b]pyrazine;2-methylpyridine;oxane
SMILESC1CCOCC1.Cc1ccccn1.Cc1nc2ccnc(-c3ccc(F)cc3F)c2nc1C
InChIInChI=1S/C15H11F2N3.C6H7N.C5H10O/c1-8-9(2)20-15-13(19-8)5-6-18-14(15)11-4-3-10(16)7-12(11)17;1-6-4-2-3-5-7-6;1-2-4-6-5-3-1/h3-7H,1-2H3;2-5H,1H3;1-5H2
InChIKeyDKXYXOLBHFTAHB-UHFFFAOYSA-N
MW450.53 g/mol
LogP6.16
Rot. Bonds1

About 5-(2,4-difluorophenyl)-2,3-dimethylpyrido[3,4-b]pyrazine;2-methylpyridine;oxane

5-(2,4-difluorophenyl)-2,3-dimethylpyrido[3,4-b]pyrazine;2-methylpyridine;oxane (PubChem CID 157044854) has the molecular formula C26H28F2N4O and a molecular weight of 450.53 g/mol. Its IUPAC name is 5-(2,4-difluorophenyl)-2,3-dimethylpyrido[3,4-b]pyrazine;2-methylpyridine;oxane.

Molecular Properties

Compound Name5-(2,4-difluorophenyl)-2,3-dimethylpyrido[3,4-b]pyrazine;2-methylpyridine;oxane
PubChem CID157044854
Molecular FormulaC26H28F2N4O
Molecular Weight450.53 g/mol
Exact Mass450.22
IUPAC Name5-(2,4-difluorophenyl)-2,3-dimethylpyrido[3,4-b]pyrazine;2-methylpyridine;oxane
SMILESC1CCOCC1.Cc1ccccn1.Cc1nc2ccnc(-c3ccc(F)cc3F)c2nc1C
InChIInChI=1S/C15H11F2N3.C6H7N.C5H10O/c1-8-9(2)20-15-13(19-8)5-6-18-14(15)11-4-3-10(16)7-12(11)17;1-6-4-2-3-5-7-6;1-2-4-6-5-3-1/h3-7H,1-2H3;2-5H,1H3;1-5H2
InChIKeyDKXYXOLBHFTAHB-UHFFFAOYSA-N
XLogP6.16
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.53
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,4-difluorophenyl)-6,7-dimethyl-2-(oxan-4-yl)pyrido[2,3-d]pyrimidine;2-methylpyridine
CID 157044570
5-(4-chloro-2-fluorophenyl)-2-methylpyrido[3,4-b]pyrazine;1-methylpyrazole;oxane
CID 157045039
1-cyclopropylpyrazole;4-(2,4-difluorophenyl)-6,7-dimethylpteridine;oxepane
CID 166122534
5-cyclopropyl-1,2,4-oxadiazole;4-(2,4-difluorophenyl)-6,7-dimethylpteridine;oxane
CID 166122679
2-(2,4-difluorophenyl)-3-fluoropyridine
CID 102309458
1,4-dioxane;2-methylpyridine
CID 158048361
4-[5-(4-chloro-2-fluorophenyl)-2-methylpyrido[3,4-b]pyrazin-7-yl]morpholine;2-methylpyridine
CID 157045652
4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-1,4-oxazepane
CID 166122258
4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridine;1-methylpyrazole;oxane
CID 157044828
2-(2,4-difluorophenyl)-3-methoxypyridine
CID 90122660
2-(2,4-difluorophenyl)-3-propan-2-ylpyridine
CID 58439278
5-(2,4-difluorophenyl)-2,3-dimethyl-7-[(2S,4S)-2-methyloxan-4-yl]pyrido[3,4-b]pyrazine
CID 157045169

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluorophenyl)-2,3-dimethylpyrido[3,4-b]pyrazine;2-methylpyridine;oxane?
The IUPAC name of 5-(2,4-difluorophenyl)-2,3-dimethylpyrido[3,4-b]pyrazine;2-methylpyridine;oxane (CID 157044854) is 5-(2,4-difluorophenyl)-2,3-dimethylpyrido[3,4-b]pyrazine;2-methylpyridine;oxane.
What is the SMILES notation for 5-(2,4-difluorophenyl)-2,3-dimethylpyrido[3,4-b]pyrazine;2-methylpyridine;oxane?
The canonical SMILES for 5-(2,4-difluorophenyl)-2,3-dimethylpyrido[3,4-b]pyrazine;2-methylpyridine;oxane is C1CCOCC1.Cc1ccccn1.Cc1nc2ccnc(-c3ccc(F)cc3F)c2nc1C.
What is the InChIKey of 5-(2,4-difluorophenyl)-2,3-dimethylpyrido[3,4-b]pyrazine;2-methylpyridine;oxane?
The InChIKey is DKXYXOLBHFTAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3.C6H7N.C5H10O/c1-8-9(2)20-15-13(19-8)5-6-18-14(15)11-4-3-10(16)7-12(11)17;1-6-4-2-3-5-7-6;1-2-4-6-5-3-1/h3-7H,1-2H3;2-5H,1H3;1-5H2.
What are the key properties of 5-(2,4-difluorophenyl)-2,3-dimethylpyrido[3,4-b]pyrazine;2-methylpyridine;oxane?
5-(2,4-difluorophenyl)-2,3-dimethylpyrido[3,4-b]pyrazine;2-methylpyridine;oxane has a molecular weight of 450.53 g/mol, XLogP of 6.16, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluorophenyl)-2,3-dimethylpyrido[3,4-b]pyrazine;2-methylpyridine;oxane is sourced from PubChem (CID 157044854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).