4-(2-fluoro-4-methylphenyl)-6,7-dimethyl-2-[3-(oxolan-3-yl)phenyl]pteridine

C25H23FN4O — CID 178120692

IUPAC4-(2-fluoro-4-methylphenyl)-6,7-dimethyl-2-[3-(oxolan-3-yl)phenyl]pteridine
SMILESCc1ccc(-c2nc(-c3cccc(C4CCOC4)c3)nc3nc(C)c(C)nc23)c(F)c1
InChIInChI=1S/C25H23FN4O/c1-14-7-8-20(21(26)11-14)22-23-25(28-16(3)15(2)27-23)30-24(29-22)18-6-4-5-17(12-18)19-9-10-31-13-19/h4-8,11-12,19H,9-10,13H2,1-3H3
InChIKeyICWOLYWXBHIBEI-UHFFFAOYSA-N
MW414.48 g/mol
LogP5.32
Rot. Bonds3

About 4-(2-fluoro-4-methylphenyl)-6,7-dimethyl-2-[3-(oxolan-3-yl)phenyl]pteridine

4-(2-fluoro-4-methylphenyl)-6,7-dimethyl-2-[3-(oxolan-3-yl)phenyl]pteridine (PubChem CID 178120692) has the molecular formula C25H23FN4O and a molecular weight of 414.48 g/mol. Its IUPAC name is 4-(2-fluoro-4-methylphenyl)-6,7-dimethyl-2-[3-(oxolan-3-yl)phenyl]pteridine.

Molecular Properties

Compound Name4-(2-fluoro-4-methylphenyl)-6,7-dimethyl-2-[3-(oxolan-3-yl)phenyl]pteridine
PubChem CID178120692
Molecular FormulaC25H23FN4O
Molecular Weight414.48 g/mol
Exact Mass414.19
IUPAC Name4-(2-fluoro-4-methylphenyl)-6,7-dimethyl-2-[3-(oxolan-3-yl)phenyl]pteridine
SMILESCc1ccc(-c2nc(-c3cccc(C4CCOC4)c3)nc3nc(C)c(C)nc23)c(F)c1
InChIInChI=1S/C25H23FN4O/c1-14-7-8-20(21(26)11-14)22-23-25(28-16(3)15(2)27-23)30-24(29-22)18-6-4-5-17(12-18)19-9-10-31-13-19/h4-8,11-12,19H,9-10,13H2,1-3H3
InChIKeyICWOLYWXBHIBEI-UHFFFAOYSA-N
XLogP5.32
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.48
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-bicyclo[1.1.1]pentanyl)pyrazole;4-(2,4-difluorophenyl)-6,7-dimethyl-2-(oxan-4-yl)pteridine
CID 166123038
5-(2-fluoro-4-methylphenyl)-2,3-dimethyl-7-(oxan-4-yl)pyrido[3,4-b]pyrazine;1-methylpyrazole
CID 157045738
4-(2,4-difluoro-3-methylphenyl)-6,7-dimethyl-2-[3-(1-methylpyrazol-4-yl)phenyl]pteridine
CID 178120578
4-(2,4-difluorophenyl)-6,7-dimethyl-2-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]pteridine
CID 178120565
2,5-bis[3-(oxolan-3-yl)phenyl]-1,3,4-oxadiazole
CID 138012179
4-(4-chloro-2-fluorophenyl)-2-[3-(1-ethylpyrazol-4-yl)phenyl]-6,7-dimethylpteridine
CID 178120704
4-(2,4-difluorophenyl)-6,7-dimethyl-2-(oxan-4-yl)pteridine;1-(2-fluoroethyl)pyrazole
CID 166122881
4-(4-chloro-2-fluorophenyl)-2-cyclohexyl-6,7-dimethylpteridine
CID 166122261
4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dimethyl-2-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]pteridine
CID 178120715
4-(4-chloro-2-fluorophenyl)-6,7-dimethyl-2-[2-(2-methylpyrimidin-5-yl)oxan-4-yl]pteridine
CID 157045272
4-(4-chloro-2-fluorophenyl)-6,7-dimethyl-2-[(2R,4S)-2-(2-methylpyrimidin-5-yl)oxan-4-yl]pteridine
CID 157044476
4-(2,4-difluorophenyl)-2-[(2R,4S)-2-(6-methoxy-2-pyridinyl)oxan-4-yl]-6,7-dimethylpteridine
CID 166122662

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-4-methylphenyl)-6,7-dimethyl-2-[3-(oxolan-3-yl)phenyl]pteridine?
The IUPAC name of 4-(2-fluoro-4-methylphenyl)-6,7-dimethyl-2-[3-(oxolan-3-yl)phenyl]pteridine (CID 178120692) is 4-(2-fluoro-4-methylphenyl)-6,7-dimethyl-2-[3-(oxolan-3-yl)phenyl]pteridine.
What is the SMILES notation for 4-(2-fluoro-4-methylphenyl)-6,7-dimethyl-2-[3-(oxolan-3-yl)phenyl]pteridine?
The canonical SMILES for 4-(2-fluoro-4-methylphenyl)-6,7-dimethyl-2-[3-(oxolan-3-yl)phenyl]pteridine is Cc1ccc(-c2nc(-c3cccc(C4CCOC4)c3)nc3nc(C)c(C)nc23)c(F)c1.
What is the InChIKey of 4-(2-fluoro-4-methylphenyl)-6,7-dimethyl-2-[3-(oxolan-3-yl)phenyl]pteridine?
The InChIKey is ICWOLYWXBHIBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O/c1-14-7-8-20(21(26)11-14)22-23-25(28-16(3)15(2)27-23)30-24(29-22)18-6-4-5-17(12-18)19-9-10-31-13-19/h4-8,11-12,19H,9-10,13H2,1-3H3.
What are the key properties of 4-(2-fluoro-4-methylphenyl)-6,7-dimethyl-2-[3-(oxolan-3-yl)phenyl]pteridine?
4-(2-fluoro-4-methylphenyl)-6,7-dimethyl-2-[3-(oxolan-3-yl)phenyl]pteridine has a molecular weight of 414.48 g/mol, XLogP of 5.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-4-methylphenyl)-6,7-dimethyl-2-[3-(oxolan-3-yl)phenyl]pteridine is sourced from PubChem (CID 178120692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).