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

C24H25F3N6O — CID 166122881

IUPAC4-(2,4-difluorophenyl)-6,7-dimethyl-2-(oxan-4-yl)pteridine;1-(2-fluoroethyl)pyrazole
SMILESCc1nc2nc(C3CCOCC3)nc(-c3ccc(F)cc3F)c2nc1C.FCCn1cccn1
InChIInChI=1S/C19H18F2N4O.C5H7FN2/c1-10-11(2)23-19-17(22-10)16(14-4-3-13(20)9-15(14)21)24-18(25-19)12-5-7-26-8-6-12;6-2-5-8-4-1-3-7-8/h3-4,9,12H,5-8H2,1-2H3;1,3-4H,2,5H2
InChIKeyVPMZITNJOSIREM-UHFFFAOYSA-N
MW470.50 g/mol
LogP4.73
Rot. Bonds4

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

4-(2,4-difluorophenyl)-6,7-dimethyl-2-(oxan-4-yl)pteridine;1-(2-fluoroethyl)pyrazole (PubChem CID 166122881) has the molecular formula C24H25F3N6O and a molecular weight of 470.50 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-6,7-dimethyl-2-(oxan-4-yl)pteridine;1-(2-fluoroethyl)pyrazole.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-6,7-dimethyl-2-(oxan-4-yl)pteridine;1-(2-fluoroethyl)pyrazole
PubChem CID166122881
Molecular FormulaC24H25F3N6O
Molecular Weight470.50 g/mol
Exact Mass470.20
IUPAC Name4-(2,4-difluorophenyl)-6,7-dimethyl-2-(oxan-4-yl)pteridine;1-(2-fluoroethyl)pyrazole
SMILESCc1nc2nc(C3CCOCC3)nc(-c3ccc(F)cc3F)c2nc1C.FCCn1cccn1
InChIInChI=1S/C19H18F2N4O.C5H7FN2/c1-10-11(2)23-19-17(22-10)16(14-4-3-13(20)9-15(14)21)24-18(25-19)12-5-7-26-8-6-12;6-2-5-8-4-1-3-7-8/h3-4,9,12H,5-8H2,1-2H3;1,3-4H,2,5H2
InChIKeyVPMZITNJOSIREM-UHFFFAOYSA-N
XLogP4.73
TPSA78.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.50
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-(2,4-difluorophenyl)-6,7-dimethyl-2-(oxan-4-yl)pteridine;1-(2-fluoroethyl)pyrazole with MolForge

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Related Compounds

1-(1-bicyclo[1.1.1]pentanyl)pyrazole;4-(2,4-difluorophenyl)-6,7-dimethyl-2-(oxan-4-yl)pteridine
CID 166123038
4-(2,4-difluorophenyl)-6,7-dimethyl-2-(oxan-4-yl)pyrido[2,3-d]pyrimidine;2-methylpyridine
CID 157044570
CID 166121814
CID 166121814
4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-2-methylmorpholine;1-(oxetan-3-ylmethyl)pyrazole
CID 166121288
7-(2,4-difluorophenyl)-2-methyl-5-(oxan-4-yl)-[1,3]thiazolo[4,5-d]pyrimidine
CID 168887939
1-cyclopropylpyrazole;4-(2,4-difluorophenyl)-6,7-dimethylpteridine;oxepane
CID 166122534
4-(2,4-difluorophenyl)-6,7-dimethyl-2-[(2S,4R)-2-(2-methyl-4-pyridinyl)oxan-4-yl]pteridine
CID 157045282
2-[2-(5-cyclopropyl-1-methylpyrazol-3-yl)oxan-4-yl]-4-(2,4-difluorophenyl)-6,7-dimethylpteridine
CID 166122917
2-[2-(2-cyclopropyltriazol-4-yl)oxan-4-yl]-4-(2,4-difluorophenyl)-6,7-dimethylpteridine
CID 166121771
4-(2,4-difluorophenyl)-6,7-dimethyl-2-[2-(3-methylbenzimidazol-5-yl)oxan-4-yl]pteridine;ethane
CID 177137322
1-cyclopropylpyrazole;1-(2,4-difluorophenyl)-3-(oxan-4-yl)-7,8-dihydro-6H-purino[7,8-a]pyrrole
CID 168887860
4-(2,4-difluorophenyl)-2-[(2R,4S)-2-(6-methoxy-2-pyridinyl)oxan-4-yl]-6,7-dimethylpteridine
CID 166122662

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-6,7-dimethyl-2-(oxan-4-yl)pteridine;1-(2-fluoroethyl)pyrazole?
The IUPAC name of 4-(2,4-difluorophenyl)-6,7-dimethyl-2-(oxan-4-yl)pteridine;1-(2-fluoroethyl)pyrazole (CID 166122881) is 4-(2,4-difluorophenyl)-6,7-dimethyl-2-(oxan-4-yl)pteridine;1-(2-fluoroethyl)pyrazole.
What is the SMILES notation for 4-(2,4-difluorophenyl)-6,7-dimethyl-2-(oxan-4-yl)pteridine;1-(2-fluoroethyl)pyrazole?
The canonical SMILES for 4-(2,4-difluorophenyl)-6,7-dimethyl-2-(oxan-4-yl)pteridine;1-(2-fluoroethyl)pyrazole is Cc1nc2nc(C3CCOCC3)nc(-c3ccc(F)cc3F)c2nc1C.FCCn1cccn1.
What is the InChIKey of 4-(2,4-difluorophenyl)-6,7-dimethyl-2-(oxan-4-yl)pteridine;1-(2-fluoroethyl)pyrazole?
The InChIKey is VPMZITNJOSIREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4O.C5H7FN2/c1-10-11(2)23-19-17(22-10)16(14-4-3-13(20)9-15(14)21)24-18(25-19)12-5-7-26-8-6-12;6-2-5-8-4-1-3-7-8/h3-4,9,12H,5-8H2,1-2H3;1,3-4H,2,5H2.
What are the key properties of 4-(2,4-difluorophenyl)-6,7-dimethyl-2-(oxan-4-yl)pteridine;1-(2-fluoroethyl)pyrazole?
4-(2,4-difluorophenyl)-6,7-dimethyl-2-(oxan-4-yl)pteridine;1-(2-fluoroethyl)pyrazole has a molecular weight of 470.50 g/mol, XLogP of 4.73, 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-dimethyl-2-(oxan-4-yl)pteridine;1-(2-fluoroethyl)pyrazole is sourced from PubChem (CID 166122881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).