4-(4-chloro-2-fluorophenyl)-7-methylpteridine;2-methyl-4-(oxan-2-yl)pyridine

C24H23ClFN5O — CID 157044908

IUPAC4-(4-chloro-2-fluorophenyl)-7-methylpteridine;2-methyl-4-(oxan-2-yl)pyridine
SMILESCc1cc(C2CCCCO2)ccn1.Cc1cnc2c(-c3ccc(Cl)cc3F)ncnc2n1
InChIInChI=1S/C13H8ClFN4.C11H15NO/c1-7-5-16-12-11(17-6-18-13(12)19-7)9-3-2-8(14)4-10(9)15;1-9-8-10(5-6-12-9)11-4-2-3-7-13-11/h2-6H,1H3;5-6,8,11H,2-4,7H2,1H3
InChIKeyOWTYUWPGBGWRCK-UHFFFAOYSA-N
MW451.93 g/mol
LogP5.82
Rot. Bonds2

About 4-(4-chloro-2-fluorophenyl)-7-methylpteridine;2-methyl-4-(oxan-2-yl)pyridine

4-(4-chloro-2-fluorophenyl)-7-methylpteridine;2-methyl-4-(oxan-2-yl)pyridine (PubChem CID 157044908) has the molecular formula C24H23ClFN5O and a molecular weight of 451.93 g/mol. Its IUPAC name is 4-(4-chloro-2-fluorophenyl)-7-methylpteridine;2-methyl-4-(oxan-2-yl)pyridine.

Molecular Properties

Compound Name4-(4-chloro-2-fluorophenyl)-7-methylpteridine;2-methyl-4-(oxan-2-yl)pyridine
PubChem CID157044908
Molecular FormulaC24H23ClFN5O
Molecular Weight451.93 g/mol
Exact Mass451.16
IUPAC Name4-(4-chloro-2-fluorophenyl)-7-methylpteridine;2-methyl-4-(oxan-2-yl)pyridine
SMILESCc1cc(C2CCCCO2)ccn1.Cc1cnc2c(-c3ccc(Cl)cc3F)ncnc2n1
InChIInChI=1S/C13H8ClFN4.C11H15NO/c1-7-5-16-12-11(17-6-18-13(12)19-7)9-3-2-8(14)4-10(9)15;1-9-8-10(5-6-12-9)11-4-2-3-7-13-11/h2-6H,1H3;5-6,8,11H,2-4,7H2,1H3
InChIKeyOWTYUWPGBGWRCK-UHFFFAOYSA-N
XLogP5.82
TPSA73.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.93
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-chloro-2,3-difluorophenyl)-7-methylpteridine;2-methyl-4-(oxan-2-yl)pyridine
CID 157045501
4-(4-chloro-2-fluorophenyl)-7-(2,2,2-trifluoroethyl)pteridine;1-cyclopropyl-4-(oxan-2-yl)pyrazole
CID 166122429
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
4-(2,4-difluorophenyl)-6,7-dimethylpteridine;4-[(2R)-oxan-2-yl]-1-(oxetan-3-yl)pyrazole
CID 166122277
4-(4-chloro-2-fluorophenyl)-7-(2,2,2-trifluoroethyl)pteridine;1-cyclopropylpyrazole;oxane
CID 166121626
8-(4-chloro-2-fluorophenyl)-3-methyl-6-(oxan-4-yl)pyrido[2,3-b]pyrazine
CID 157044867
4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridine;1-cyclopropyl-4-(4-fluorooxan-2-yl)pyrazole
CID 166122886
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-methylpyrazole;oxane
CID 157044828
13-(4-chloro-2-fluorophenyl)-11-[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]-2,7,12-triazatricyclo[7.4.0.03,7]trideca-1(13),2,9,11-tetraen-8-one
CID 177151970
4-(2,4-difluorophenyl)-6,7-dimethyl-2-[(2S,4R)-2-(2-methyl-4-pyridinyl)oxan-4-yl]pteridine
CID 157045282

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-fluorophenyl)-7-methylpteridine;2-methyl-4-(oxan-2-yl)pyridine?
The IUPAC name of 4-(4-chloro-2-fluorophenyl)-7-methylpteridine;2-methyl-4-(oxan-2-yl)pyridine (CID 157044908) is 4-(4-chloro-2-fluorophenyl)-7-methylpteridine;2-methyl-4-(oxan-2-yl)pyridine.
What is the SMILES notation for 4-(4-chloro-2-fluorophenyl)-7-methylpteridine;2-methyl-4-(oxan-2-yl)pyridine?
The canonical SMILES for 4-(4-chloro-2-fluorophenyl)-7-methylpteridine;2-methyl-4-(oxan-2-yl)pyridine is Cc1cc(C2CCCCO2)ccn1.Cc1cnc2c(-c3ccc(Cl)cc3F)ncnc2n1.
What is the InChIKey of 4-(4-chloro-2-fluorophenyl)-7-methylpteridine;2-methyl-4-(oxan-2-yl)pyridine?
The InChIKey is OWTYUWPGBGWRCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFN4.C11H15NO/c1-7-5-16-12-11(17-6-18-13(12)19-7)9-3-2-8(14)4-10(9)15;1-9-8-10(5-6-12-9)11-4-2-3-7-13-11/h2-6H,1H3;5-6,8,11H,2-4,7H2,1H3.
What are the key properties of 4-(4-chloro-2-fluorophenyl)-7-methylpteridine;2-methyl-4-(oxan-2-yl)pyridine?
4-(4-chloro-2-fluorophenyl)-7-methylpteridine;2-methyl-4-(oxan-2-yl)pyridine has a molecular weight of 451.93 g/mol, XLogP of 5.82, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-fluorophenyl)-7-methylpteridine;2-methyl-4-(oxan-2-yl)pyridine is sourced from PubChem (CID 157044908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).