[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)oxyphenyl]-(4-fluorophenyl)methanone

C20H15FN4O2 — CID 47059403

IUPAC[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)oxyphenyl]-(4-fluorophenyl)methanone
SMILESCc1nc(Oc2ccc(C(=O)c3ccc(F)cc3)cc2)c2cnn(C)c2n1
InChIInChI=1S/C20H15FN4O2/c1-12-23-19-17(11-22-25(19)2)20(24-12)27-16-9-5-14(6-10-16)18(26)13-3-7-15(21)8-4-13/h3-11H,1-2H3
InChIKeyTWRPITOFBYALSV-UHFFFAOYSA-N
MW362.36 g/mol
LogP3.83
Rot. Bonds4

About [4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)oxyphenyl]-(4-fluorophenyl)methanone

[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)oxyphenyl]-(4-fluorophenyl)methanone (PubChem CID 47059403) has the molecular formula C20H15FN4O2 and a molecular weight of 362.36 g/mol. Its IUPAC name is [4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)oxyphenyl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)oxyphenyl]-(4-fluorophenyl)methanone
PubChem CID47059403
Molecular FormulaC20H15FN4O2
Molecular Weight362.36 g/mol
Exact Mass362.12
IUPAC Name[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)oxyphenyl]-(4-fluorophenyl)methanone
SMILESCc1nc(Oc2ccc(C(=O)c3ccc(F)cc3)cc2)c2cnn(C)c2n1
InChIInChI=1S/C20H15FN4O2/c1-12-23-19-17(11-22-25(19)2)20(24-12)27-16-9-5-14(6-10-16)18(26)13-3-7-15(21)8-4-13/h3-11H,1-2H3
InChIKeyTWRPITOFBYALSV-UHFFFAOYSA-N
XLogP3.83
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)oxyphenyl]-(4-fluorophenyl)methanone?
The IUPAC name of [4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)oxyphenyl]-(4-fluorophenyl)methanone (CID 47059403) is [4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)oxyphenyl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)oxyphenyl]-(4-fluorophenyl)methanone?
The canonical SMILES for [4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)oxyphenyl]-(4-fluorophenyl)methanone is Cc1nc(Oc2ccc(C(=O)c3ccc(F)cc3)cc2)c2cnn(C)c2n1.
What is the InChIKey of [4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)oxyphenyl]-(4-fluorophenyl)methanone?
The InChIKey is TWRPITOFBYALSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O2/c1-12-23-19-17(11-22-25(19)2)20(24-12)27-16-9-5-14(6-10-16)18(26)13-3-7-15(21)8-4-13/h3-11H,1-2H3.
What are the key properties of [4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)oxyphenyl]-(4-fluorophenyl)methanone?
[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)oxyphenyl]-(4-fluorophenyl)methanone has a molecular weight of 362.36 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)oxyphenyl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 47059403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).