4-(2,4-difluoro-3-methylphenyl)-6,7-dimethyl-2-[3-(1-methylpyrazol-4-yl)phenyl]pteridine

C25H20F2N6 — CID 178120578

IUPAC4-(2,4-difluoro-3-methylphenyl)-6,7-dimethyl-2-[3-(1-methylpyrazol-4-yl)phenyl]pteridine
SMILESCc1nc2nc(-c3cccc(-c4cnn(C)c4)c3)nc(-c3ccc(F)c(C)c3F)c2nc1C
InChIInChI=1S/C25H20F2N6/c1-13-20(26)9-8-19(21(13)27)22-23-25(30-15(3)14(2)29-23)32-24(31-22)17-7-5-6-16(10-17)18-11-28-33(4)12-18/h5-12H,1-4H3
InChIKeyUDMRMZTUWYJHBF-UHFFFAOYSA-N
MW442.47 g/mol
LogP5.36
Rot. Bonds3

About 4-(2,4-difluoro-3-methylphenyl)-6,7-dimethyl-2-[3-(1-methylpyrazol-4-yl)phenyl]pteridine

4-(2,4-difluoro-3-methylphenyl)-6,7-dimethyl-2-[3-(1-methylpyrazol-4-yl)phenyl]pteridine (PubChem CID 178120578) has the molecular formula C25H20F2N6 and a molecular weight of 442.47 g/mol. Its IUPAC name is 4-(2,4-difluoro-3-methylphenyl)-6,7-dimethyl-2-[3-(1-methylpyrazol-4-yl)phenyl]pteridine.

Molecular Properties

Compound Name4-(2,4-difluoro-3-methylphenyl)-6,7-dimethyl-2-[3-(1-methylpyrazol-4-yl)phenyl]pteridine
PubChem CID178120578
Molecular FormulaC25H20F2N6
Molecular Weight442.47 g/mol
Exact Mass442.17
IUPAC Name4-(2,4-difluoro-3-methylphenyl)-6,7-dimethyl-2-[3-(1-methylpyrazol-4-yl)phenyl]pteridine
SMILESCc1nc2nc(-c3cccc(-c4cnn(C)c4)c3)nc(-c3ccc(F)c(C)c3F)c2nc1C
InChIInChI=1S/C25H20F2N6/c1-13-20(26)9-8-19(21(13)27)22-23-25(30-15(3)14(2)29-23)32-24(31-22)17-7-5-6-16(10-17)18-11-28-33(4)12-18/h5-12H,1-4H3
InChIKeyUDMRMZTUWYJHBF-UHFFFAOYSA-N
XLogP5.36
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.47
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]pteridine
CID 178120565
4-(2-fluoro-4-nitrophenyl)-6,7-dimethyl-2-[3-methyl-5-(1-methylpyrazol-4-yl)phenyl]pteridine
CID 178120522
4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dimethyl-2-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]pteridine
CID 178120715
4-[2-fluoro-4-(trifluoromethyl)phenyl]-2-[3-[1-(2-methoxyethyl)pyrazol-4-yl]phenyl]-6,7-dimethylpteridine
CID 178120608
4-(2-fluoro-4-methylphenyl)-6,7-dimethyl-2-[3-(oxolan-3-yl)phenyl]pteridine
CID 178120692
4-(2-fluoro-4-methylphenyl)-1-methylpyrazole
CID 121373425
5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine;hydrochloride
CID 155661131
4-(4-chloro-2-fluorophenyl)-6,7-dimethyl-2-[(2R,4R)-2-(1-methylpyrazol-4-yl)oxan-4-yl]pteridine
CID 157044971
4-(2-fluoro-5-methylphenyl)-1-methylpyrazole
CID 59578603
1-[3-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]-5-fluorophenyl]-N,N-dimethylazetidin-3-amine
CID 178120713
2-fluoro-5-(1-methylpyrazol-4-yl)benzonitrile
CID 58540875

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluoro-3-methylphenyl)-6,7-dimethyl-2-[3-(1-methylpyrazol-4-yl)phenyl]pteridine?
The IUPAC name of 4-(2,4-difluoro-3-methylphenyl)-6,7-dimethyl-2-[3-(1-methylpyrazol-4-yl)phenyl]pteridine (CID 178120578) is 4-(2,4-difluoro-3-methylphenyl)-6,7-dimethyl-2-[3-(1-methylpyrazol-4-yl)phenyl]pteridine.
What is the SMILES notation for 4-(2,4-difluoro-3-methylphenyl)-6,7-dimethyl-2-[3-(1-methylpyrazol-4-yl)phenyl]pteridine?
The canonical SMILES for 4-(2,4-difluoro-3-methylphenyl)-6,7-dimethyl-2-[3-(1-methylpyrazol-4-yl)phenyl]pteridine is Cc1nc2nc(-c3cccc(-c4cnn(C)c4)c3)nc(-c3ccc(F)c(C)c3F)c2nc1C.
What is the InChIKey of 4-(2,4-difluoro-3-methylphenyl)-6,7-dimethyl-2-[3-(1-methylpyrazol-4-yl)phenyl]pteridine?
The InChIKey is UDMRMZTUWYJHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F2N6/c1-13-20(26)9-8-19(21(13)27)22-23-25(30-15(3)14(2)29-23)32-24(31-22)17-7-5-6-16(10-17)18-11-28-33(4)12-18/h5-12H,1-4H3.
What are the key properties of 4-(2,4-difluoro-3-methylphenyl)-6,7-dimethyl-2-[3-(1-methylpyrazol-4-yl)phenyl]pteridine?
4-(2,4-difluoro-3-methylphenyl)-6,7-dimethyl-2-[3-(1-methylpyrazol-4-yl)phenyl]pteridine has a molecular weight of 442.47 g/mol, XLogP of 5.36, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluoro-3-methylphenyl)-6,7-dimethyl-2-[3-(1-methylpyrazol-4-yl)phenyl]pteridine is sourced from PubChem (CID 178120578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).