4-(2-methoxyphenoxy)-1-phenylpyrazolo[5,4-d]pyrimidine

C18H14N4O2 — CID 7205654

IUPAC4-(2-methoxyphenoxy)-1-phenylpyrazolo[5,4-d]pyrimidine
SMILESCOc1ccccc1Oc1ncnc2c1cnn2-c1ccccc1
InChIInChI=1S/C18H14N4O2/c1-23-15-9-5-6-10-16(15)24-18-14-11-21-22(17(14)19-12-20-18)13-7-3-2-4-8-13/h2-12H,1H3
InChIKeyKKNNBYXFZKQGNI-UHFFFAOYSA-N
MW318.34 g/mol
LogP3.62
Rot. Bonds4

About 4-(2-methoxyphenoxy)-1-phenylpyrazolo[5,4-d]pyrimidine

4-(2-methoxyphenoxy)-1-phenylpyrazolo[5,4-d]pyrimidine (PubChem CID 7205654) has the molecular formula C18H14N4O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is 4-(2-methoxyphenoxy)-1-phenylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-(2-methoxyphenoxy)-1-phenylpyrazolo[5,4-d]pyrimidine
PubChem CID7205654
Molecular FormulaC18H14N4O2
Molecular Weight318.34 g/mol
Exact Mass318.11
IUPAC Name4-(2-methoxyphenoxy)-1-phenylpyrazolo[5,4-d]pyrimidine
SMILESCOc1ccccc1Oc1ncnc2c1cnn2-c1ccccc1
InChIInChI=1S/C18H14N4O2/c1-23-15-9-5-6-10-16(15)24-18-14-11-21-22(17(14)19-12-20-18)13-7-3-2-4-8-13/h2-12H,1H3
InChIKeyKKNNBYXFZKQGNI-UHFFFAOYSA-N
XLogP3.62
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenoxy)-1-phenylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-(2-methoxyphenoxy)-1-phenylpyrazolo[5,4-d]pyrimidine (CID 7205654) is 4-(2-methoxyphenoxy)-1-phenylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-(2-methoxyphenoxy)-1-phenylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-(2-methoxyphenoxy)-1-phenylpyrazolo[5,4-d]pyrimidine is COc1ccccc1Oc1ncnc2c1cnn2-c1ccccc1.
What is the InChIKey of 4-(2-methoxyphenoxy)-1-phenylpyrazolo[5,4-d]pyrimidine?
The InChIKey is KKNNBYXFZKQGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2/c1-23-15-9-5-6-10-16(15)24-18-14-11-21-22(17(14)19-12-20-18)13-7-3-2-4-8-13/h2-12H,1H3.
What are the key properties of 4-(2-methoxyphenoxy)-1-phenylpyrazolo[5,4-d]pyrimidine?
4-(2-methoxyphenoxy)-1-phenylpyrazolo[5,4-d]pyrimidine has a molecular weight of 318.34 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenoxy)-1-phenylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 7205654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).