4-(2,4-difluorophenyl)-6,7-dimethylpteridine;1-(2-fluoroethyl)-4-(oxan-2-yl)pyrazole

C24H25F3N6O — CID 166122042

IUPAC4-(2,4-difluorophenyl)-6,7-dimethylpteridine;1-(2-fluoroethyl)-4-(oxan-2-yl)pyrazole
SMILESCc1nc2ncnc(-c3ccc(F)cc3F)c2nc1C.FCCn1cc(C2CCCCO2)cn1
InChIInChI=1S/C14H10F2N4.C10H15FN2O/c1-7-8(2)20-14-13(19-7)12(17-6-18-14)10-4-3-9(15)5-11(10)16;11-4-5-13-8-9(7-12-13)10-3-1-2-6-14-10/h3-6H,1-2H3;7-8,10H,1-6H2
InChIKeyGHBSUWVLZNRVFV-UHFFFAOYSA-N
MW470.50 g/mol
LogP5.08
Rot. Bonds4

About 4-(2,4-difluorophenyl)-6,7-dimethylpteridine;1-(2-fluoroethyl)-4-(oxan-2-yl)pyrazole

4-(2,4-difluorophenyl)-6,7-dimethylpteridine;1-(2-fluoroethyl)-4-(oxan-2-yl)pyrazole (PubChem CID 166122042) has the molecular formula C24H25F3N6O and a molecular weight of 470.50 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-6,7-dimethylpteridine;1-(2-fluoroethyl)-4-(oxan-2-yl)pyrazole.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-6,7-dimethylpteridine;1-(2-fluoroethyl)-4-(oxan-2-yl)pyrazole
PubChem CID166122042
Molecular FormulaC24H25F3N6O
Molecular Weight470.50 g/mol
Exact Mass470.20
IUPAC Name4-(2,4-difluorophenyl)-6,7-dimethylpteridine;1-(2-fluoroethyl)-4-(oxan-2-yl)pyrazole
SMILESCc1nc2ncnc(-c3ccc(F)cc3F)c2nc1C.FCCn1cc(C2CCCCO2)cn1
InChIInChI=1S/C14H10F2N4.C10H15FN2O/c1-7-8(2)20-14-13(19-7)12(17-6-18-14)10-4-3-9(15)5-11(10)16;11-4-5-13-8-9(7-12-13)10-3-1-2-6-14-10/h3-6H,1-2H3;7-8,10H,1-6H2
InChIKeyGHBSUWVLZNRVFV-UHFFFAOYSA-N
XLogP5.08
TPSA78.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.50
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-(2,4-difluorophenyl)-6,7-dimethylpteridine;1-(2-fluoroethyl)-4-(oxan-2-yl)pyrazole 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-(2,4-difluorophenyl)-6,7-dimethylpteridine;4-[(2R)-oxan-2-yl]-1-(oxetan-3-yl)pyrazole
CID 166122277
1-cyclopropyl-4-(oxan-2-yl)pyrazole;4-(2-fluoro-4-methoxyphenyl)-6,7-dimethylpteridine
CID 166122263
6-chloro-4-(2,4-difluorophenyl)-7-methylpyrido[2,3-d]pyrimidine;1-cyclopropyl-4-(oxan-2-yl)pyrazole
CID 166122557
1-cyclopropylpyrazole;4-(2,4-difluorophenyl)-6,7-dimethylpteridine;oxepane
CID 166122534
4-(4-chloro-2-fluorophenyl)-7-(2,2,2-trifluoroethyl)pteridine;1-cyclopropyl-4-(oxan-2-yl)pyrazole
CID 166122429
4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridine;1-cyclopropyl-4-(4-fluorooxan-2-yl)pyrazole
CID 166122886
5-cyclopropyl-1,2,4-oxadiazole;4-(2,4-difluorophenyl)-6,7-dimethylpteridine;oxane
CID 166122679
4-(4-chloro-2-fluorophenyl)-7-methylpteridine;2-methyl-4-(oxan-2-yl)pyridine
CID 157044908
4-(2,4-difluorophenyl)-6,7-dimethyl-2-(oxan-4-yl)pteridine;1-(2-fluoroethyl)pyrazole
CID 166122881
6-(difluoromethyl)-4-(2,4-difluorophenyl)-7-methylpteridine
CID 166121869
4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridine;1-methylpyrazole;oxane
CID 157044828
2-cyclopropyl-4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-6-[1-(methoxymethyl)pyrazol-4-yl]morpholine
CID 166121294

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-6,7-dimethylpteridine;1-(2-fluoroethyl)-4-(oxan-2-yl)pyrazole?
The IUPAC name of 4-(2,4-difluorophenyl)-6,7-dimethylpteridine;1-(2-fluoroethyl)-4-(oxan-2-yl)pyrazole (CID 166122042) is 4-(2,4-difluorophenyl)-6,7-dimethylpteridine;1-(2-fluoroethyl)-4-(oxan-2-yl)pyrazole.
What is the SMILES notation for 4-(2,4-difluorophenyl)-6,7-dimethylpteridine;1-(2-fluoroethyl)-4-(oxan-2-yl)pyrazole?
The canonical SMILES for 4-(2,4-difluorophenyl)-6,7-dimethylpteridine;1-(2-fluoroethyl)-4-(oxan-2-yl)pyrazole is Cc1nc2ncnc(-c3ccc(F)cc3F)c2nc1C.FCCn1cc(C2CCCCO2)cn1.
What is the InChIKey of 4-(2,4-difluorophenyl)-6,7-dimethylpteridine;1-(2-fluoroethyl)-4-(oxan-2-yl)pyrazole?
The InChIKey is GHBSUWVLZNRVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N4.C10H15FN2O/c1-7-8(2)20-14-13(19-7)12(17-6-18-14)10-4-3-9(15)5-11(10)16;11-4-5-13-8-9(7-12-13)10-3-1-2-6-14-10/h3-6H,1-2H3;7-8,10H,1-6H2.
What are the key properties of 4-(2,4-difluorophenyl)-6,7-dimethylpteridine;1-(2-fluoroethyl)-4-(oxan-2-yl)pyrazole?
4-(2,4-difluorophenyl)-6,7-dimethylpteridine;1-(2-fluoroethyl)-4-(oxan-2-yl)pyrazole has a molecular weight of 470.50 g/mol, XLogP of 5.08, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)-6,7-dimethylpteridine;1-(2-fluoroethyl)-4-(oxan-2-yl)pyrazole is sourced from PubChem (CID 166122042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).