5-(4-chloro-2-fluorophenyl)-2-methylpyrido[3,4-b]pyrazine;1-methylpyrazole;oxane

C23H25ClFN5O — CID 157045039

IUPAC5-(4-chloro-2-fluorophenyl)-2-methylpyrido[3,4-b]pyrazine;1-methylpyrazole;oxane
SMILESC1CCOCC1.Cc1cnc2c(-c3ccc(Cl)cc3F)nccc2n1.Cn1cccn1
InChIInChI=1S/C14H9ClFN3.C5H10O.C4H6N2/c1-8-7-18-14-12(19-8)4-5-17-13(14)10-3-2-9(15)6-11(10)16;1-2-4-6-5-3-1;1-6-4-2-3-5-6/h2-7H,1H3;1-5H2;2-4H,1H3
InChIKeyBOBDIEUNEHZIIM-UHFFFAOYSA-N
MW441.94 g/mol
LogP5.40
Rot. Bonds1

About 5-(4-chloro-2-fluorophenyl)-2-methylpyrido[3,4-b]pyrazine;1-methylpyrazole;oxane

5-(4-chloro-2-fluorophenyl)-2-methylpyrido[3,4-b]pyrazine;1-methylpyrazole;oxane (PubChem CID 157045039) has the molecular formula C23H25ClFN5O and a molecular weight of 441.94 g/mol. Its IUPAC name is 5-(4-chloro-2-fluorophenyl)-2-methylpyrido[3,4-b]pyrazine;1-methylpyrazole;oxane.

Molecular Properties

Compound Name5-(4-chloro-2-fluorophenyl)-2-methylpyrido[3,4-b]pyrazine;1-methylpyrazole;oxane
PubChem CID157045039
Molecular FormulaC23H25ClFN5O
Molecular Weight441.94 g/mol
Exact Mass441.17
IUPAC Name5-(4-chloro-2-fluorophenyl)-2-methylpyrido[3,4-b]pyrazine;1-methylpyrazole;oxane
SMILESC1CCOCC1.Cc1cnc2c(-c3ccc(Cl)cc3F)nccc2n1.Cn1cccn1
InChIInChI=1S/C14H9ClFN3.C5H10O.C4H6N2/c1-8-7-18-14-12(19-8)4-5-17-13(14)10-3-2-9(15)6-11(10)16;1-2-4-6-5-3-1;1-6-4-2-3-5-6/h2-7H,1H3;1-5H2;2-4H,1H3
InChIKeyBOBDIEUNEHZIIM-UHFFFAOYSA-N
XLogP5.40
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.94
LogP ≤ 55.40
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
8-(4-chloro-2-fluorophenyl)-2,3-dimethylpyrido[2,3-b]pyrazine;1-methylpyrazole;oxane
CID 157044450
4-[5-(4-chloro-2-fluorophenyl)-2-methylpyrido[3,4-b]pyrazin-7-yl]morpholine;2-methylpyridine
CID 157045652
5-(2,4-difluorophenyl)-2,3-dimethylpyrido[3,4-b]pyrazine;2-methylpyridine;oxane
CID 157044854
4-(4-chloro-2-fluorophenyl)-7-(2,2,2-trifluoroethyl)pteridine;1-cyclopropylpyrazole;oxane
CID 166121626
4-(4-chloro-2-fluorophenyl)-6,7-dimethylpyrido[2,3-d]pyrimidine;1-cyclopropylpyrazole;oxane
CID 166122275
5-(2-fluoro-4-methylphenyl)-2,3-dimethyl-7-(oxan-4-yl)pyrido[3,4-b]pyrazine;1-methylpyrazole
CID 157045738
5-(4-chloro-2-fluorophenyl)-2-methyl-7-[(2S,4S)-2-(1-methylpyrazol-4-yl)oxan-4-yl]pyrido[3,4-b]pyrazine
CID 157045194
1-cyclopropylpyrazole;4-(2,4-difluorophenyl)-6,7-dimethylpteridine;oxepane
CID 166122534
8-(4-chloro-2-fluorophenyl)-3-methyl-6-(oxan-4-yl)pyrido[2,3-b]pyrazine
CID 157044867
4-(4-chloro-2-fluorophenyl)-7-methylpteridine;2-methyl-4-(oxan-2-yl)pyridine
CID 157044908
4-[8-(4-chloro-2-fluorophenyl)-3-methylpyrido[2,3-b]pyrazin-6-yl]morpholine
CID 157044800

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-2-fluorophenyl)-2-methylpyrido[3,4-b]pyrazine;1-methylpyrazole;oxane?
The IUPAC name of 5-(4-chloro-2-fluorophenyl)-2-methylpyrido[3,4-b]pyrazine;1-methylpyrazole;oxane (CID 157045039) is 5-(4-chloro-2-fluorophenyl)-2-methylpyrido[3,4-b]pyrazine;1-methylpyrazole;oxane.
What is the SMILES notation for 5-(4-chloro-2-fluorophenyl)-2-methylpyrido[3,4-b]pyrazine;1-methylpyrazole;oxane?
The canonical SMILES for 5-(4-chloro-2-fluorophenyl)-2-methylpyrido[3,4-b]pyrazine;1-methylpyrazole;oxane is C1CCOCC1.Cc1cnc2c(-c3ccc(Cl)cc3F)nccc2n1.Cn1cccn1.
What is the InChIKey of 5-(4-chloro-2-fluorophenyl)-2-methylpyrido[3,4-b]pyrazine;1-methylpyrazole;oxane?
The InChIKey is BOBDIEUNEHZIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFN3.C5H10O.C4H6N2/c1-8-7-18-14-12(19-8)4-5-17-13(14)10-3-2-9(15)6-11(10)16;1-2-4-6-5-3-1;1-6-4-2-3-5-6/h2-7H,1H3;1-5H2;2-4H,1H3.
What are the key properties of 5-(4-chloro-2-fluorophenyl)-2-methylpyrido[3,4-b]pyrazine;1-methylpyrazole;oxane?
5-(4-chloro-2-fluorophenyl)-2-methylpyrido[3,4-b]pyrazine;1-methylpyrazole;oxane has a molecular weight of 441.94 g/mol, XLogP of 5.40, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-2-fluorophenyl)-2-methylpyrido[3,4-b]pyrazine;1-methylpyrazole;oxane is sourced from PubChem (CID 157045039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).