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

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Related Compounds

1-Ter-Butyl-3-P-Tolyl-1h-Pyrazolo[3,4-D]Pyrimidin-4-Ylamine
CID 1400
1-methyl-3-naphthalen-2-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24905144
1-Tert-butyl-3-naphthalen-1-ylpyrazolo(3,4-d)pyrimidin-4-amine
CID 4877
1-(1,1-Dimethylethyl)-3-(1-naphthalenylmethyl)-1H-pyrazolo(3,4-d)pyrimidin-4-amine
CID 5154691
3-(Naphthalen-1-Ylmethyl)-1-(Piperidin-4-Ylmethyl)-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 46398830
1-[(3R)-3-(4-amino-3-naphthalen-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]prop-2-en-1-one
CID 137348470
1-Tert-Butyl-3-Naphthalen-2-Yl-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 5059890
1,3-diphenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 5327820
3-(naphthalen-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 11543481
1-(1-Methylethyl)-3-(Naphthalen-1-Ylmethyl)-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 24864847
3-(2-Naphthyl)-1-(4-piperidylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 70682513
1-isopropyl-3-p-tolyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 53345582

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).