4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridine;1-cyclopropyl-4-(4-fluorooxan-2-yl)pyrazole

C25H25ClF2N6O — CID 166122886

IUPAC4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridine;1-cyclopropyl-4-(4-fluorooxan-2-yl)pyrazole
SMILESCc1nc2ncnc(-c3ccc(Cl)cc3F)c2nc1C.FC1CCOC(c2cnn(C3CC3)c2)C1
InChIInChI=1S/C14H10ClFN4.C11H15FN2O/c1-7-8(2)20-14-13(19-7)12(17-6-18-14)10-4-3-9(15)5-11(10)16;12-9-3-4-15-11(5-9)8-6-13-14(7-8)10-1-2-10/h3-6H,1-2H3;6-7,9-11H,1-5H2
InChIKeyHIZWLHZYPPKETR-UHFFFAOYSA-N
MW498.97 g/mol
LogP5.90
Rot. Bonds3

About 4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridine;1-cyclopropyl-4-(4-fluorooxan-2-yl)pyrazole

4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridine;1-cyclopropyl-4-(4-fluorooxan-2-yl)pyrazole (PubChem CID 166122886) has the molecular formula C25H25ClF2N6O and a molecular weight of 498.97 g/mol. Its IUPAC name is 4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridine;1-cyclopropyl-4-(4-fluorooxan-2-yl)pyrazole.

Molecular Properties

Compound Name4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridine;1-cyclopropyl-4-(4-fluorooxan-2-yl)pyrazole
PubChem CID166122886
Molecular FormulaC25H25ClF2N6O
Molecular Weight498.97 g/mol
Exact Mass498.17
IUPAC Name4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridine;1-cyclopropyl-4-(4-fluorooxan-2-yl)pyrazole
SMILESCc1nc2ncnc(-c3ccc(Cl)cc3F)c2nc1C.FC1CCOC(c2cnn(C3CC3)c2)C1
InChIInChI=1S/C14H10ClFN4.C11H15FN2O/c1-7-8(2)20-14-13(19-7)12(17-6-18-14)10-4-3-9(15)5-11(10)16;12-9-3-4-15-11(5-9)8-6-13-14(7-8)10-1-2-10/h3-6H,1-2H3;6-7,9-11H,1-5H2
InChIKeyHIZWLHZYPPKETR-UHFFFAOYSA-N
XLogP5.90
TPSA78.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.97
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-cyclopropyl-4-(oxan-2-yl)pyrazole;4-(2-fluoro-4-methoxyphenyl)-6,7-dimethylpteridine
CID 166122263
5-(4-chloro-2-fluorophenyl)-7-[(2S,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-2,3-dimethylpyrido[3,4-b]pyrazine
CID 166561383
4-(4-chloro-2-fluorophenyl)-2-[2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-6-methoxy-7-methylpteridine
CID 166122783
4-(2,4-difluorophenyl)-6,7-dimethylpteridine;4-[(2R)-oxan-2-yl]-1-(oxetan-3-yl)pyrazole
CID 166122277
4-(4-chloro-2-fluorophenyl)-2-[(2R,4S)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-6,7-dimethylpyrido[2,3-d]pyrimidine
CID 157044857
4-(4-chloro-2-fluorophenyl)-2-[(2S,4S)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-6,7-dimethylpyrido[2,3-d]pyrimidine
CID 157045736
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)-2-[2-(1-cyclopropylpyrazol-4-yl)-4-methoxyoxan-4-yl]-6,7-dimethylpteridine
CID 166123216
4-(4-chloro-2-fluorophenyl)-2-[(2R,4S)-2-(1-cyclopropylpyrazol-4-yl)-4-methoxyoxan-4-yl]-6,7-dimethylpteridine
CID 166121377
4-(4-chloro-2-fluorophenyl)-2-[(2S,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-7-methylpyrido[2,3-d]pyrimidine
CID 166561399
4-(4-chloro-2-fluorophenyl)-6,7-dimethyl-2-[(2R,4R)-2-(1-methylpyrazol-4-yl)oxan-4-yl]pteridine
CID 157044971
CID 166122324
CID 166122324

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridine;1-cyclopropyl-4-(4-fluorooxan-2-yl)pyrazole?
The IUPAC name of 4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridine;1-cyclopropyl-4-(4-fluorooxan-2-yl)pyrazole (CID 166122886) is 4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridine;1-cyclopropyl-4-(4-fluorooxan-2-yl)pyrazole.
What is the SMILES notation for 4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridine;1-cyclopropyl-4-(4-fluorooxan-2-yl)pyrazole?
The canonical SMILES for 4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridine;1-cyclopropyl-4-(4-fluorooxan-2-yl)pyrazole is Cc1nc2ncnc(-c3ccc(Cl)cc3F)c2nc1C.FC1CCOC(c2cnn(C3CC3)c2)C1.
What is the InChIKey of 4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridine;1-cyclopropyl-4-(4-fluorooxan-2-yl)pyrazole?
The InChIKey is HIZWLHZYPPKETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN4.C11H15FN2O/c1-7-8(2)20-14-13(19-7)12(17-6-18-14)10-4-3-9(15)5-11(10)16;12-9-3-4-15-11(5-9)8-6-13-14(7-8)10-1-2-10/h3-6H,1-2H3;6-7,9-11H,1-5H2.
What are the key properties of 4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridine;1-cyclopropyl-4-(4-fluorooxan-2-yl)pyrazole?
4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridine;1-cyclopropyl-4-(4-fluorooxan-2-yl)pyrazole has a molecular weight of 498.97 g/mol, XLogP of 5.90, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridine;1-cyclopropyl-4-(4-fluorooxan-2-yl)pyrazole is sourced from PubChem (CID 166122886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).