1-[3-methoxy-4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxyphenyl]ethanone

C20H16N4O3 — CID 7205656

IUPAC1-[3-methoxy-4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxyphenyl]ethanone
SMILESCOc1cc(C(C)=O)ccc1Oc1ncnc2c1cnn2-c1ccccc1
InChIInChI=1S/C20H16N4O3/c1-13(25)14-8-9-17(18(10-14)26-2)27-20-16-11-23-24(19(16)21-12-22-20)15-6-4-3-5-7-15/h3-12H,1-2H3
InChIKeyRXTBFAUALHIHBC-UHFFFAOYSA-N
MW360.37 g/mol
LogP3.82
Rot. Bonds5

About 1-[3-methoxy-4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxyphenyl]ethanone

1-[3-methoxy-4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxyphenyl]ethanone (PubChem CID 7205656) has the molecular formula C20H16N4O3 and a molecular weight of 360.37 g/mol. Its IUPAC name is 1-[3-methoxy-4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxyphenyl]ethanone.

Molecular Properties

Compound Name1-[3-methoxy-4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxyphenyl]ethanone
PubChem CID7205656
Molecular FormulaC20H16N4O3
Molecular Weight360.37 g/mol
Exact Mass360.12
IUPAC Name1-[3-methoxy-4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxyphenyl]ethanone
SMILESCOc1cc(C(C)=O)ccc1Oc1ncnc2c1cnn2-c1ccccc1
InChIInChI=1S/C20H16N4O3/c1-13(25)14-8-9-17(18(10-14)26-2)27-20-16-11-23-24(19(16)21-12-22-20)15-6-4-3-5-7-15/h3-12H,1-2H3
InChIKeyRXTBFAUALHIHBC-UHFFFAOYSA-N
XLogP3.82
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxyphenyl]ethanone?
The IUPAC name of 1-[3-methoxy-4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxyphenyl]ethanone (CID 7205656) is 1-[3-methoxy-4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxyphenyl]ethanone.
What is the SMILES notation for 1-[3-methoxy-4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxyphenyl]ethanone?
The canonical SMILES for 1-[3-methoxy-4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxyphenyl]ethanone is COc1cc(C(C)=O)ccc1Oc1ncnc2c1cnn2-c1ccccc1.
What is the InChIKey of 1-[3-methoxy-4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxyphenyl]ethanone?
The InChIKey is RXTBFAUALHIHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3/c1-13(25)14-8-9-17(18(10-14)26-2)27-20-16-11-23-24(19(16)21-12-22-20)15-6-4-3-5-7-15/h3-12H,1-2H3.
What are the key properties of 1-[3-methoxy-4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxyphenyl]ethanone?
1-[3-methoxy-4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxyphenyl]ethanone has a molecular weight of 360.37 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxyphenyl]ethanone is sourced from PubChem (CID 7205656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).