4-(2,4-difluorophenyl)-6,7-dimethyl-2-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]pteridine

C26H22F2N6 — CID 178120565

IUPAC4-(2,4-difluorophenyl)-6,7-dimethyl-2-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]pteridine
SMILESCc1nc2nc(-c3cccc(-c4cnn(C(C)C)c4)c3)nc(-c3ccc(F)cc3F)c2nc1C
InChIInChI=1S/C26H22F2N6/c1-14(2)34-13-19(12-29-34)17-6-5-7-18(10-17)25-32-23(21-9-8-20(27)11-22(21)28)24-26(33-25)31-16(4)15(3)30-24/h5-14H,1-4H3
InChIKeyVMLAQZHUSOGSAF-UHFFFAOYSA-N
MW456.50 g/mol
LogP6.09
Rot. Bonds4

About 4-(2,4-difluorophenyl)-6,7-dimethyl-2-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]pteridine

4-(2,4-difluorophenyl)-6,7-dimethyl-2-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]pteridine (PubChem CID 178120565) has the molecular formula C26H22F2N6 and a molecular weight of 456.50 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-6,7-dimethyl-2-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]pteridine.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-6,7-dimethyl-2-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]pteridine
PubChem CID178120565
Molecular FormulaC26H22F2N6
Molecular Weight456.50 g/mol
Exact Mass456.19
IUPAC Name4-(2,4-difluorophenyl)-6,7-dimethyl-2-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]pteridine
SMILESCc1nc2nc(-c3cccc(-c4cnn(C(C)C)c4)c3)nc(-c3ccc(F)cc3F)c2nc1C
InChIInChI=1S/C26H22F2N6/c1-14(2)34-13-19(12-29-34)17-6-5-7-18(10-17)25-32-23(21-9-8-20(27)11-22(21)28)24-26(33-25)31-16(4)15(3)30-24/h5-14H,1-4H3
InChIKeyVMLAQZHUSOGSAF-UHFFFAOYSA-N
XLogP6.09
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.50
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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)-2-[3-(1-ethylpyrazol-4-yl)phenyl]-6,7-dimethylpteridine
CID 178120704
4-(2,4-difluoro-3-methylphenyl)-6,7-dimethyl-2-[3-(1-methylpyrazol-4-yl)phenyl]pteridine
CID 178120578
4-[2-fluoro-4-(trifluoromethyl)phenyl]-2-[3-[1-(2-methoxyethyl)pyrazol-4-yl]phenyl]-6,7-dimethylpteridine
CID 178120608
4-(2-fluoro-4-nitrophenyl)-6,7-dimethyl-2-[3-methyl-5-(1-methylpyrazol-4-yl)phenyl]pteridine
CID 178120522
4-(2-fluoro-4-methylphenyl)-6,7-dimethyl-2-[3-(oxolan-3-yl)phenyl]pteridine
CID 178120692
1-[3-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]-5-fluorophenyl]-N,N-dimethylazetidin-3-amine
CID 178120713
4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-1,4-oxazepane
CID 166122258
(2R)-2-[4-(3-fluorophenyl)pyrazol-1-yl]propanoic acid
CID 97034163
2-chloro-4-(2,5-difluorophenyl)-6,7-dimethylpteridine
CID 178120678
(2R,6S)-4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-2-methyl-6-(1-methylpyrazol-4-yl)morpholine
CID 166121706
6-(difluoromethyl)-4-(2,4-difluorophenyl)-7-methylpteridine
CID 166121869

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-6,7-dimethyl-2-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]pteridine?
The IUPAC name of 4-(2,4-difluorophenyl)-6,7-dimethyl-2-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]pteridine (CID 178120565) is 4-(2,4-difluorophenyl)-6,7-dimethyl-2-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]pteridine.
What is the SMILES notation for 4-(2,4-difluorophenyl)-6,7-dimethyl-2-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]pteridine?
The canonical SMILES for 4-(2,4-difluorophenyl)-6,7-dimethyl-2-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]pteridine is Cc1nc2nc(-c3cccc(-c4cnn(C(C)C)c4)c3)nc(-c3ccc(F)cc3F)c2nc1C.
What is the InChIKey of 4-(2,4-difluorophenyl)-6,7-dimethyl-2-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]pteridine?
The InChIKey is VMLAQZHUSOGSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F2N6/c1-14(2)34-13-19(12-29-34)17-6-5-7-18(10-17)25-32-23(21-9-8-20(27)11-22(21)28)24-26(33-25)31-16(4)15(3)30-24/h5-14H,1-4H3.
What are the key properties of 4-(2,4-difluorophenyl)-6,7-dimethyl-2-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]pteridine?
4-(2,4-difluorophenyl)-6,7-dimethyl-2-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]pteridine has a molecular weight of 456.50 g/mol, XLogP of 6.09, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)-6,7-dimethyl-2-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]pteridine is sourced from PubChem (CID 178120565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).