5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)-2-methyl-3H-isoindol-1-one

C15H14N6O — CID 155916412

IUPAC5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)-2-methyl-3H-isoindol-1-one
SMILESCN1Cc2cc(-c3nc(N)c4cnn(C)c4n3)ccc2C1=O
InChIInChI=1S/C15H14N6O/c1-20-7-9-5-8(3-4-10(9)15(20)22)13-18-12(16)11-6-17-21(2)14(11)19-13/h3-6H,7H2,1-2H3,(H2,16,18,19)
InChIKeyRRXOEPXEIWMNTH-UHFFFAOYSA-N
MW294.32 g/mol
LogP1.20
Rot. Bonds1

About 5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)-2-methyl-3H-isoindol-1-one

5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)-2-methyl-3H-isoindol-1-one (PubChem CID 155916412) has the molecular formula C15H14N6O and a molecular weight of 294.32 g/mol. Its IUPAC name is 5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)-2-methyl-3H-isoindol-1-one.

Molecular Properties

Compound Name5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)-2-methyl-3H-isoindol-1-one
PubChem CID155916412
Molecular FormulaC15H14N6O
Molecular Weight294.32 g/mol
Exact Mass294.12
IUPAC Name5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)-2-methyl-3H-isoindol-1-one
SMILESCN1Cc2cc(-c3nc(N)c4cnn(C)c4n3)ccc2C1=O
InChIInChI=1S/C15H14N6O/c1-20-7-9-5-8(3-4-10(9)15(20)22)13-18-12(16)11-6-17-21(2)14(11)19-13/h3-6H,7H2,1-2H3,(H2,16,18,19)
InChIKeyRRXOEPXEIWMNTH-UHFFFAOYSA-N
XLogP1.20
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)-2-methyl-3H-isoindol-1-one with MolForge

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Related Compounds

1-methyl-6-pyrimidin-5-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 164800826
1-methyl-6-(2-methyl-1,3-benzothiazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 155914044
2-methyl-5-(4-methylphenyl)-3H-isoindol-1-one
CID 123197449
5-(2-amino-5-chloro-6-methylpyrimidin-4-yl)-2-methyl-3H-isoindol-1-one
CID 155911428
6-(6-amino-4-methyl-3-pyridinyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 165427184
5-[6-(5-amino-3-pyridinyl)-3-pyridinyl]-2-methyl-3H-isoindol-1-one
CID 90042635
6-(5-amino-1-methylpyrazol-3-yl)-2-methyl-3H-isoindol-1-one
CID 117357788
5-[4-(2-aminoethyl)phenyl]-2-methyl-3H-isoindol-1-one
CID 157017376
3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-1-methylimidazolidine-2,4-dione
CID 63221411
1-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-4-methylpiperazine-2,3-dione
CID 63220958
2,5-dimethylisoindole-1,3-dione;2,5-dimethyl-3H-isoindol-1-one
CID 142859605
5-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-methyl-3H-isoindol-1-one
CID 155777191

Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)-2-methyl-3H-isoindol-1-one?
The IUPAC name of 5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)-2-methyl-3H-isoindol-1-one (CID 155916412) is 5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)-2-methyl-3H-isoindol-1-one.
What is the SMILES notation for 5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)-2-methyl-3H-isoindol-1-one?
The canonical SMILES for 5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)-2-methyl-3H-isoindol-1-one is CN1Cc2cc(-c3nc(N)c4cnn(C)c4n3)ccc2C1=O.
What is the InChIKey of 5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)-2-methyl-3H-isoindol-1-one?
The InChIKey is RRXOEPXEIWMNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O/c1-20-7-9-5-8(3-4-10(9)15(20)22)13-18-12(16)11-6-17-21(2)14(11)19-13/h3-6H,7H2,1-2H3,(H2,16,18,19).
What are the key properties of 5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)-2-methyl-3H-isoindol-1-one?
5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)-2-methyl-3H-isoindol-1-one has a molecular weight of 294.32 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)-2-methyl-3H-isoindol-1-one is sourced from PubChem (CID 155916412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).