4-(7-methoxynaphthalen-2-yl)oxy-1-methylpyrazolo[5,4-d]pyrimidine

C17H14N4O2 — CID 25315634

IUPAC4-(7-methoxynaphthalen-2-yl)oxy-1-methylpyrazolo[5,4-d]pyrimidine
SMILESCOc1ccc2ccc(Oc3ncnc4c3cnn4C)cc2c1
InChIInChI=1S/C17H14N4O2/c1-21-16-15(9-20-21)17(19-10-18-16)23-14-6-4-11-3-5-13(22-2)7-12(11)8-14/h3-10H,1-2H3
InChIKeyVBEGTDXAJRDIAP-UHFFFAOYSA-N
MW306.33 g/mol
LogP3.32
Rot. Bonds3

About 4-(7-methoxynaphthalen-2-yl)oxy-1-methylpyrazolo[5,4-d]pyrimidine

4-(7-methoxynaphthalen-2-yl)oxy-1-methylpyrazolo[5,4-d]pyrimidine (PubChem CID 25315634) has the molecular formula C17H14N4O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is 4-(7-methoxynaphthalen-2-yl)oxy-1-methylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-(7-methoxynaphthalen-2-yl)oxy-1-methylpyrazolo[5,4-d]pyrimidine
PubChem CID25315634
Molecular FormulaC17H14N4O2
Molecular Weight306.33 g/mol
Exact Mass306.11
IUPAC Name4-(7-methoxynaphthalen-2-yl)oxy-1-methylpyrazolo[5,4-d]pyrimidine
SMILESCOc1ccc2ccc(Oc3ncnc4c3cnn4C)cc2c1
InChIInChI=1S/C17H14N4O2/c1-21-16-15(9-20-21)17(19-10-18-16)23-14-6-4-11-3-5-13(22-2)7-12(11)8-14/h3-10H,1-2H3
InChIKeyVBEGTDXAJRDIAP-UHFFFAOYSA-N
XLogP3.32
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(7-methoxynaphthalen-2-yl)oxy-1-methylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-(7-methoxynaphthalen-2-yl)oxy-1-methylpyrazolo[5,4-d]pyrimidine (CID 25315634) is 4-(7-methoxynaphthalen-2-yl)oxy-1-methylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-(7-methoxynaphthalen-2-yl)oxy-1-methylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-(7-methoxynaphthalen-2-yl)oxy-1-methylpyrazolo[5,4-d]pyrimidine is COc1ccc2ccc(Oc3ncnc4c3cnn4C)cc2c1.
What is the InChIKey of 4-(7-methoxynaphthalen-2-yl)oxy-1-methylpyrazolo[5,4-d]pyrimidine?
The InChIKey is VBEGTDXAJRDIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2/c1-21-16-15(9-20-21)17(19-10-18-16)23-14-6-4-11-3-5-13(22-2)7-12(11)8-14/h3-10H,1-2H3.
What are the key properties of 4-(7-methoxynaphthalen-2-yl)oxy-1-methylpyrazolo[5,4-d]pyrimidine?
4-(7-methoxynaphthalen-2-yl)oxy-1-methylpyrazolo[5,4-d]pyrimidine has a molecular weight of 306.33 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-methoxynaphthalen-2-yl)oxy-1-methylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 25315634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).