2-chloro-4-(4-fluoro-1-methylpyrazol-5-yl)-6,7-dimethylpteridine

C12H10ClFN6 — CID 178120553

IUPAC2-chloro-4-(4-fluoro-1-methylpyrazol-5-yl)-6,7-dimethylpteridine
SMILESCc1nc2nc(Cl)nc(-c3c(F)cnn3C)c2nc1C
InChIInChI=1S/C12H10ClFN6/c1-5-6(2)17-11-9(16-5)8(18-12(13)19-11)10-7(14)4-15-20(10)3/h4H,1-3H3
InChIKeyQGBAALPZLNFKBC-UHFFFAOYSA-N
MW292.71 g/mol
LogP2.23
Rot. Bonds1

About 2-chloro-4-(4-fluoro-1-methylpyrazol-5-yl)-6,7-dimethylpteridine

2-chloro-4-(4-fluoro-1-methylpyrazol-5-yl)-6,7-dimethylpteridine (PubChem CID 178120553) has the molecular formula C12H10ClFN6 and a molecular weight of 292.71 g/mol. Its IUPAC name is 2-chloro-4-(4-fluoro-1-methylpyrazol-5-yl)-6,7-dimethylpteridine.

Molecular Properties

Compound Name2-chloro-4-(4-fluoro-1-methylpyrazol-5-yl)-6,7-dimethylpteridine
PubChem CID178120553
Molecular FormulaC12H10ClFN6
Molecular Weight292.71 g/mol
Exact Mass292.06
IUPAC Name2-chloro-4-(4-fluoro-1-methylpyrazol-5-yl)-6,7-dimethylpteridine
SMILESCc1nc2nc(Cl)nc(-c3c(F)cnn3C)c2nc1C
InChIInChI=1S/C12H10ClFN6/c1-5-6(2)17-11-9(16-5)8(18-12(13)19-11)10-7(14)4-15-20(10)3/h4H,1-3H3
InChIKeyQGBAALPZLNFKBC-UHFFFAOYSA-N
XLogP2.23
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.71
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-chloro-4-(4-fluoro-1-methylpyrazol-5-yl)-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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-fluoro-1-methylpyrazol-5-yl)-6,7-dimethylpteridine?
The IUPAC name of 2-chloro-4-(4-fluoro-1-methylpyrazol-5-yl)-6,7-dimethylpteridine (CID 178120553) is 2-chloro-4-(4-fluoro-1-methylpyrazol-5-yl)-6,7-dimethylpteridine.
What is the SMILES notation for 2-chloro-4-(4-fluoro-1-methylpyrazol-5-yl)-6,7-dimethylpteridine?
The canonical SMILES for 2-chloro-4-(4-fluoro-1-methylpyrazol-5-yl)-6,7-dimethylpteridine is Cc1nc2nc(Cl)nc(-c3c(F)cnn3C)c2nc1C.
What is the InChIKey of 2-chloro-4-(4-fluoro-1-methylpyrazol-5-yl)-6,7-dimethylpteridine?
The InChIKey is QGBAALPZLNFKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN6/c1-5-6(2)17-11-9(16-5)8(18-12(13)19-11)10-7(14)4-15-20(10)3/h4H,1-3H3.
What are the key properties of 2-chloro-4-(4-fluoro-1-methylpyrazol-5-yl)-6,7-dimethylpteridine?
2-chloro-4-(4-fluoro-1-methylpyrazol-5-yl)-6,7-dimethylpteridine has a molecular weight of 292.71 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-fluoro-1-methylpyrazol-5-yl)-6,7-dimethylpteridine is sourced from PubChem (CID 178120553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).