3-(6-ethoxynaphthalen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

C18H17N5O — CID 24905207

IUPAC3-(6-ethoxynaphthalen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCOc1ccc2cc(-c3nn(C)c4ncnc(N)c34)ccc2c1
InChIInChI=1S/C18H17N5O/c1-3-24-14-7-6-11-8-13(5-4-12(11)9-14)16-15-17(19)20-10-21-18(15)23(2)22-16/h4-10H,3H2,1-2H3,(H2,19,20,21)
InChIKeyAXQKJTHCYRYSLF-UHFFFAOYSA-N
MW319.37 g/mol
LogP3.16
Rot. Bonds3

About 3-(6-ethoxynaphthalen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

3-(6-ethoxynaphthalen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 24905207) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is 3-(6-ethoxynaphthalen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-(6-ethoxynaphthalen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID24905207
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name3-(6-ethoxynaphthalen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCOc1ccc2cc(-c3nn(C)c4ncnc(N)c34)ccc2c1
InChIInChI=1S/C18H17N5O/c1-3-24-14-7-6-11-8-13(5-4-12(11)9-14)16-15-17(19)20-10-21-18(15)23(2)22-16/h4-10H,3H2,1-2H3,(H2,19,20,21)
InChIKeyAXQKJTHCYRYSLF-UHFFFAOYSA-N
XLogP3.16
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(6-ethoxynaphthalen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-(6-ethoxynaphthalen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (CID 24905207) is 3-(6-ethoxynaphthalen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-(6-ethoxynaphthalen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-(6-ethoxynaphthalen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is CCOc1ccc2cc(-c3nn(C)c4ncnc(N)c34)ccc2c1.
What is the InChIKey of 3-(6-ethoxynaphthalen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is AXQKJTHCYRYSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c1-3-24-14-7-6-11-8-13(5-4-12(11)9-14)16-15-17(19)20-10-21-18(15)23(2)22-16/h4-10H,3H2,1-2H3,(H2,19,20,21).
What are the key properties of 3-(6-ethoxynaphthalen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
3-(6-ethoxynaphthalen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 319.37 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-ethoxynaphthalen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 24905207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).