4-(4-chloro-2-fluorophenyl)-2-[3-(1-ethylpyrazol-4-yl)phenyl]-6,7-dimethylpteridine

C25H20ClFN6 — CID 178120704

IUPAC4-(4-chloro-2-fluorophenyl)-2-[3-(1-ethylpyrazol-4-yl)phenyl]-6,7-dimethylpteridine
SMILESCCn1cc(-c2cccc(-c3nc(-c4ccc(Cl)cc4F)c4nc(C)c(C)nc4n3)c2)cn1
InChIInChI=1S/C25H20ClFN6/c1-4-33-13-18(12-28-33)16-6-5-7-17(10-16)24-31-22(20-9-8-19(26)11-21(20)27)23-25(32-24)30-15(3)14(2)29-23/h5-13H,4H2,1-3H3
InChIKeyRERPVLGSLATDRB-UHFFFAOYSA-N
MW458.93 g/mol
LogP6.05
Rot. Bonds4

About 4-(4-chloro-2-fluorophenyl)-2-[3-(1-ethylpyrazol-4-yl)phenyl]-6,7-dimethylpteridine

4-(4-chloro-2-fluorophenyl)-2-[3-(1-ethylpyrazol-4-yl)phenyl]-6,7-dimethylpteridine (PubChem CID 178120704) has the molecular formula C25H20ClFN6 and a molecular weight of 458.93 g/mol. Its IUPAC name is 4-(4-chloro-2-fluorophenyl)-2-[3-(1-ethylpyrazol-4-yl)phenyl]-6,7-dimethylpteridine.

Molecular Properties

Compound Name4-(4-chloro-2-fluorophenyl)-2-[3-(1-ethylpyrazol-4-yl)phenyl]-6,7-dimethylpteridine
PubChem CID178120704
Molecular FormulaC25H20ClFN6
Molecular Weight458.93 g/mol
Exact Mass458.14
IUPAC Name4-(4-chloro-2-fluorophenyl)-2-[3-(1-ethylpyrazol-4-yl)phenyl]-6,7-dimethylpteridine
SMILESCCn1cc(-c2cccc(-c3nc(-c4ccc(Cl)cc4F)c4nc(C)c(C)nc4n3)c2)cn1
InChIInChI=1S/C25H20ClFN6/c1-4-33-13-18(12-28-33)16-6-5-7-17(10-16)24-31-22(20-9-8-19(26)11-21(20)27)23-25(32-24)30-15(3)14(2)29-23/h5-13H,4H2,1-3H3
InChIKeyRERPVLGSLATDRB-UHFFFAOYSA-N
XLogP6.05
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.93
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(4-chloro-2-fluorophenyl)-2-[3-(1-ethylpyrazol-4-yl)phenyl]-6,7-dimethylpteridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-fluoro-4-(trifluoromethyl)phenyl]-2-[3-[1-(2-methoxyethyl)pyrazol-4-yl]phenyl]-6,7-dimethylpteridine
CID 178120608
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
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-nitrophenyl)-6,7-dimethyl-2-[3-methyl-5-(1-methylpyrazol-4-yl)phenyl]pteridine
CID 178120522
1-[3-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]-5-fluorophenyl]-N,N-dimethylazetidin-3-amine
CID 178120713
4-(4-chloro-2-fluorophenyl)-2-(4,4-difluoropiperidin-1-yl)-6,7-dimethylpteridine
CID 157044679
4-(4-chloro-2-fluorophenyl)-2-cyclohexyl-6,7-dimethylpteridine
CID 166122261
4-(4-chloro-2-fluorophenyl)-2-[3-(1-cyclopropylpyrazol-4-yl)piperidin-1-yl]-6,7-dimethylpteridine
CID 166834602
4-(2-fluoro-4-methylphenyl)-6,7-dimethyl-2-[3-(oxolan-3-yl)phenyl]pteridine
CID 178120692
4-(4-chloro-2-fluorophenyl)-6,7-dimethyl-2-[(2R,4R)-2-(1-methylpyrazol-4-yl)oxan-4-yl]pteridine
CID 157044971
[3-(1-ethylpyrazol-4-yl)phenyl]boronic acid
CID 130141673

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-fluorophenyl)-2-[3-(1-ethylpyrazol-4-yl)phenyl]-6,7-dimethylpteridine?
The IUPAC name of 4-(4-chloro-2-fluorophenyl)-2-[3-(1-ethylpyrazol-4-yl)phenyl]-6,7-dimethylpteridine (CID 178120704) is 4-(4-chloro-2-fluorophenyl)-2-[3-(1-ethylpyrazol-4-yl)phenyl]-6,7-dimethylpteridine.
What is the SMILES notation for 4-(4-chloro-2-fluorophenyl)-2-[3-(1-ethylpyrazol-4-yl)phenyl]-6,7-dimethylpteridine?
The canonical SMILES for 4-(4-chloro-2-fluorophenyl)-2-[3-(1-ethylpyrazol-4-yl)phenyl]-6,7-dimethylpteridine is CCn1cc(-c2cccc(-c3nc(-c4ccc(Cl)cc4F)c4nc(C)c(C)nc4n3)c2)cn1.
What is the InChIKey of 4-(4-chloro-2-fluorophenyl)-2-[3-(1-ethylpyrazol-4-yl)phenyl]-6,7-dimethylpteridine?
The InChIKey is RERPVLGSLATDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClFN6/c1-4-33-13-18(12-28-33)16-6-5-7-17(10-16)24-31-22(20-9-8-19(26)11-21(20)27)23-25(32-24)30-15(3)14(2)29-23/h5-13H,4H2,1-3H3.
What are the key properties of 4-(4-chloro-2-fluorophenyl)-2-[3-(1-ethylpyrazol-4-yl)phenyl]-6,7-dimethylpteridine?
4-(4-chloro-2-fluorophenyl)-2-[3-(1-ethylpyrazol-4-yl)phenyl]-6,7-dimethylpteridine has a molecular weight of 458.93 g/mol, XLogP of 6.05, 4 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)-2-[3-(1-ethylpyrazol-4-yl)phenyl]-6,7-dimethylpteridine is sourced from PubChem (CID 178120704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).