8-(4-chloro-2-fluorophenyl)-2,3-dimethylpyrido[2,3-b]pyrazine;1-methylpyrazole;oxane

C24H27ClFN5O — CID 157044450

IUPAC8-(4-chloro-2-fluorophenyl)-2,3-dimethylpyrido[2,3-b]pyrazine;1-methylpyrazole;oxane
SMILESC1CCOCC1.Cc1nc2nccc(-c3ccc(Cl)cc3F)c2nc1C.Cn1cccn1
InChIInChI=1S/C15H11ClFN3.C5H10O.C4H6N2/c1-8-9(2)20-15-14(19-8)12(5-6-18-15)11-4-3-10(16)7-13(11)17;1-2-4-6-5-3-1;1-6-4-2-3-5-6/h3-7H,1-2H3;1-5H2;2-4H,1H3
InChIKeyMOANRLITOQATSX-UHFFFAOYSA-N
MW455.97 g/mol
LogP5.71
Rot. Bonds1

About 8-(4-chloro-2-fluorophenyl)-2,3-dimethylpyrido[2,3-b]pyrazine;1-methylpyrazole;oxane

8-(4-chloro-2-fluorophenyl)-2,3-dimethylpyrido[2,3-b]pyrazine;1-methylpyrazole;oxane (PubChem CID 157044450) has the molecular formula C24H27ClFN5O and a molecular weight of 455.97 g/mol. Its IUPAC name is 8-(4-chloro-2-fluorophenyl)-2,3-dimethylpyrido[2,3-b]pyrazine;1-methylpyrazole;oxane.

Molecular Properties

Compound Name8-(4-chloro-2-fluorophenyl)-2,3-dimethylpyrido[2,3-b]pyrazine;1-methylpyrazole;oxane
PubChem CID157044450
Molecular FormulaC24H27ClFN5O
Molecular Weight455.97 g/mol
Exact Mass455.19
IUPAC Name8-(4-chloro-2-fluorophenyl)-2,3-dimethylpyrido[2,3-b]pyrazine;1-methylpyrazole;oxane
SMILESC1CCOCC1.Cc1nc2nccc(-c3ccc(Cl)cc3F)c2nc1C.Cn1cccn1
InChIInChI=1S/C15H11ClFN3.C5H10O.C4H6N2/c1-8-9(2)20-15-14(19-8)12(5-6-18-15)11-4-3-10(16)7-13(11)17;1-2-4-6-5-3-1;1-6-4-2-3-5-6/h3-7H,1-2H3;1-5H2;2-4H,1H3
InChIKeyMOANRLITOQATSX-UHFFFAOYSA-N
XLogP5.71
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.97
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridine;1-methylpyrazole;oxane
CID 157044828
5-(4-chloro-2-fluorophenyl)-2-methylpyrido[3,4-b]pyrazine;1-methylpyrazole;oxane
CID 157045039
4-(4-chloro-2-fluorophenyl)-6,7-dimethylpyrido[2,3-d]pyrimidine;1-cyclopropylpyrazole;oxane
CID 166122275
1-cyclopropylpyrazole;4-(2,4-difluorophenyl)-6,7-dimethylpteridine;oxepane
CID 166122534
1-cyclopropylpyrazole;4-[2-fluoro-4-(trifluoromethoxy)phenyl]-6,7-dimethylpteridine;oxane
CID 166123369
5-(2-fluoro-4-methylphenyl)-2,3-dimethyl-7-(oxan-4-yl)pyrido[3,4-b]pyrazine;1-methylpyrazole
CID 157045738
4-(4-chloro-2-fluorophenyl)-7-(2,2,2-trifluoroethyl)pteridine;1-cyclopropylpyrazole;oxane
CID 166121626
4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]oxan-4-ol
CID 166122294
4-[8-(4-chloro-2-fluorophenyl)-3-methylpyrido[2,3-b]pyrazin-6-yl]morpholine
CID 157044800
13-(4-chloro-2-fluorophenyl)-11-[ethyl(2-hydroxyethyl)amino]-1,8,12-triazatricyclo[7.4.0.03,7]trideca-3(7),8,10,12-tetraen-2-one;ethane;1-methylpyrazole
CID 177151493
5-(2,4-difluorophenyl)-2,3-dimethylpyrido[3,4-b]pyrazine;2-methylpyridine;oxane
CID 157044854
1-cyclopropylpyrazole;6,7-dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pteridine;oxane
CID 166122541

Frequently Asked Questions

What is the IUPAC name of 8-(4-chloro-2-fluorophenyl)-2,3-dimethylpyrido[2,3-b]pyrazine;1-methylpyrazole;oxane?
The IUPAC name of 8-(4-chloro-2-fluorophenyl)-2,3-dimethylpyrido[2,3-b]pyrazine;1-methylpyrazole;oxane (CID 157044450) is 8-(4-chloro-2-fluorophenyl)-2,3-dimethylpyrido[2,3-b]pyrazine;1-methylpyrazole;oxane.
What is the SMILES notation for 8-(4-chloro-2-fluorophenyl)-2,3-dimethylpyrido[2,3-b]pyrazine;1-methylpyrazole;oxane?
The canonical SMILES for 8-(4-chloro-2-fluorophenyl)-2,3-dimethylpyrido[2,3-b]pyrazine;1-methylpyrazole;oxane is C1CCOCC1.Cc1nc2nccc(-c3ccc(Cl)cc3F)c2nc1C.Cn1cccn1.
What is the InChIKey of 8-(4-chloro-2-fluorophenyl)-2,3-dimethylpyrido[2,3-b]pyrazine;1-methylpyrazole;oxane?
The InChIKey is MOANRLITOQATSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN3.C5H10O.C4H6N2/c1-8-9(2)20-15-14(19-8)12(5-6-18-15)11-4-3-10(16)7-13(11)17;1-2-4-6-5-3-1;1-6-4-2-3-5-6/h3-7H,1-2H3;1-5H2;2-4H,1H3.
What are the key properties of 8-(4-chloro-2-fluorophenyl)-2,3-dimethylpyrido[2,3-b]pyrazine;1-methylpyrazole;oxane?
8-(4-chloro-2-fluorophenyl)-2,3-dimethylpyrido[2,3-b]pyrazine;1-methylpyrazole;oxane has a molecular weight of 455.97 g/mol, XLogP of 5.71, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-chloro-2-fluorophenyl)-2,3-dimethylpyrido[2,3-b]pyrazine;1-methylpyrazole;oxane is sourced from PubChem (CID 157044450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).