2-(4-amino-3-naphthalen-2-ylpyrazolo[3,4-d]pyrimidin-1-yl)acetamide

C17H14N6O — CID 24905275

IUPAC2-(4-amino-3-naphthalen-2-ylpyrazolo[3,4-d]pyrimidin-1-yl)acetamide
SMILESNC(=O)Cn1nc(-c2ccc3ccccc3c2)c2c(N)ncnc21
InChIInChI=1S/C17H14N6O/c18-13(24)8-23-17-14(16(19)20-9-21-17)15(22-23)12-6-5-10-3-1-2-4-11(10)7-12/h1-7,9H,8H2,(H2,18,24)(H2,19,20,21)
InChIKeyIJWIFRLVNMBBGB-UHFFFAOYSA-N
MW318.34 g/mol
LogP1.71
Rot. Bonds3

About 2-(4-amino-3-naphthalen-2-ylpyrazolo[3,4-d]pyrimidin-1-yl)acetamide

2-(4-amino-3-naphthalen-2-ylpyrazolo[3,4-d]pyrimidin-1-yl)acetamide (PubChem CID 24905275) has the molecular formula C17H14N6O and a molecular weight of 318.34 g/mol. Its IUPAC name is 2-(4-amino-3-naphthalen-2-ylpyrazolo[3,4-d]pyrimidin-1-yl)acetamide.

Molecular Properties

Compound Name2-(4-amino-3-naphthalen-2-ylpyrazolo[3,4-d]pyrimidin-1-yl)acetamide
PubChem CID24905275
Molecular FormulaC17H14N6O
Molecular Weight318.34 g/mol
Exact Mass318.12
IUPAC Name2-(4-amino-3-naphthalen-2-ylpyrazolo[3,4-d]pyrimidin-1-yl)acetamide
SMILESNC(=O)Cn1nc(-c2ccc3ccccc3c2)c2c(N)ncnc21
InChIInChI=1S/C17H14N6O/c18-13(24)8-23-17-14(16(19)20-9-21-17)15(22-23)12-6-5-10-3-1-2-4-11(10)7-12/h1-7,9H,8H2,(H2,18,24)(H2,19,20,21)
InChIKeyIJWIFRLVNMBBGB-UHFFFAOYSA-N
XLogP1.71
TPSA112.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(4-amino-3-naphthalen-2-ylpyrazolo[3,4-d]pyrimidin-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-naphthalen-2-ylpyrazolo[3,4-d]pyrimidin-1-yl)acetamide?
The IUPAC name of 2-(4-amino-3-naphthalen-2-ylpyrazolo[3,4-d]pyrimidin-1-yl)acetamide (CID 24905275) is 2-(4-amino-3-naphthalen-2-ylpyrazolo[3,4-d]pyrimidin-1-yl)acetamide.
What is the SMILES notation for 2-(4-amino-3-naphthalen-2-ylpyrazolo[3,4-d]pyrimidin-1-yl)acetamide?
The canonical SMILES for 2-(4-amino-3-naphthalen-2-ylpyrazolo[3,4-d]pyrimidin-1-yl)acetamide is NC(=O)Cn1nc(-c2ccc3ccccc3c2)c2c(N)ncnc21.
What is the InChIKey of 2-(4-amino-3-naphthalen-2-ylpyrazolo[3,4-d]pyrimidin-1-yl)acetamide?
The InChIKey is IJWIFRLVNMBBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O/c18-13(24)8-23-17-14(16(19)20-9-21-17)15(22-23)12-6-5-10-3-1-2-4-11(10)7-12/h1-7,9H,8H2,(H2,18,24)(H2,19,20,21).
What are the key properties of 2-(4-amino-3-naphthalen-2-ylpyrazolo[3,4-d]pyrimidin-1-yl)acetamide?
2-(4-amino-3-naphthalen-2-ylpyrazolo[3,4-d]pyrimidin-1-yl)acetamide has a molecular weight of 318.34 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-naphthalen-2-ylpyrazolo[3,4-d]pyrimidin-1-yl)acetamide is sourced from PubChem (CID 24905275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).