3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-N-cyclopropylbenzamide

C16H16N6O — CID 58269141

IUPAC3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-N-cyclopropylbenzamide
SMILESCn1nc(-c2cccc(C(=O)NC3CC3)c2)c2c(N)ncnc21
InChIInChI=1S/C16H16N6O/c1-22-15-12(14(17)18-8-19-15)13(21-22)9-3-2-4-10(7-9)16(23)20-11-5-6-11/h2-4,7-8,11H,5-6H2,1H3,(H,20,23)(H2,17,18,19)
InChIKeyXIAKPEZKJIIBKB-UHFFFAOYSA-N
MW308.35 g/mol
LogP1.50
Rot. Bonds3

About 3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-N-cyclopropylbenzamide

3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-N-cyclopropylbenzamide (PubChem CID 58269141) has the molecular formula C16H16N6O and a molecular weight of 308.35 g/mol. Its IUPAC name is 3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-N-cyclopropylbenzamide.

Molecular Properties

Compound Name3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-N-cyclopropylbenzamide
PubChem CID58269141
Molecular FormulaC16H16N6O
Molecular Weight308.35 g/mol
Exact Mass308.14
IUPAC Name3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-N-cyclopropylbenzamide
SMILESCn1nc(-c2cccc(C(=O)NC3CC3)c2)c2c(N)ncnc21
InChIInChI=1S/C16H16N6O/c1-22-15-12(14(17)18-8-19-15)13(21-22)9-3-2-4-10(7-9)16(23)20-11-5-6-11/h2-4,7-8,11H,5-6H2,1H3,(H,20,23)(H2,17,18,19)
InChIKeyXIAKPEZKJIIBKB-UHFFFAOYSA-N
XLogP1.50
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-amino-1-piperidin-3-ylpyrazolo[3,4-d]pyrimidin-3-yl)-N-cyclohexylbenzamide
CID 71512455
3-[4-amino-1-[1-[3-(3-fluorophenyl)-4-oxochromen-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-N-cyclopropylbenzamide
CID 53235086
3-[2-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)ethynyl]-N-cyclopropyl-4-methylbenzamide
CID 86292777
N-cyclopropyl-3-(furan-2-yl)benzamide
CID 168525147
3-[4-amino-1-[(3R)-piperidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-N-(3-methyl-4-propan-2-ylphenyl)benzamide;hydrochloride
CID 71513578
N-[3-[4-amino-3-(4-benzoylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclobutyl]but-2-ynamide
CID 155578945
N-cyclopropyl-3-[6-[3-(hydroxymethyl)phenyl]purin-9-yl]-4-methylbenzamide
CID 11502193
3-[4-amino-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]benzamide
CID 118025879
3-[4-amino-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-N-pentan-3-ylbenzamide
CID 71451982
3-(1,3-dimethylpyrazol-4-yl)-N-(oxan-4-yl)benzamide
CID 118792986
N-[3-[1-[2-(1-acetylpiperidin-4-yl)ethyl]-4-aminopyrazolo[3,4-d]pyrimidin-3-yl]phenyl]acetamide
CID 177375651
N-cyclopropyl-3-(2-oxo-1H-pyridin-3-yl)benzamide
CID 53218141

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-N-cyclopropylbenzamide?
The IUPAC name of 3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-N-cyclopropylbenzamide (CID 58269141) is 3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-N-cyclopropylbenzamide.
What is the SMILES notation for 3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-N-cyclopropylbenzamide?
The canonical SMILES for 3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-N-cyclopropylbenzamide is Cn1nc(-c2cccc(C(=O)NC3CC3)c2)c2c(N)ncnc21.
What is the InChIKey of 3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-N-cyclopropylbenzamide?
The InChIKey is XIAKPEZKJIIBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O/c1-22-15-12(14(17)18-8-19-15)13(21-22)9-3-2-4-10(7-9)16(23)20-11-5-6-11/h2-4,7-8,11H,5-6H2,1H3,(H,20,23)(H2,17,18,19).
What are the key properties of 3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-N-cyclopropylbenzamide?
3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-N-cyclopropylbenzamide has a molecular weight of 308.35 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-N-cyclopropylbenzamide is sourced from PubChem (CID 58269141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).