4-[[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]-6-methyl-1H-pyridin-2-one

C14H16N6O — CID 138023130

IUPAC4-[[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]-6-methyl-1H-pyridin-2-one
SMILESCc1nc(NCc2cc(C)[nH]c(=O)c2)c2cnn(C)c2n1
InChIInChI=1S/C14H16N6O/c1-8-4-10(5-12(21)17-8)6-15-13-11-7-16-20(3)14(11)19-9(2)18-13/h4-5,7H,6H2,1-3H3,(H,17,21)(H,15,18,19)
InChIKeyWEOLFAREZBYIBP-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.28
Rot. Bonds3

About 4-[[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]-6-methyl-1H-pyridin-2-one

4-[[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]-6-methyl-1H-pyridin-2-one (PubChem CID 138023130) has the molecular formula C14H16N6O and a molecular weight of 284.32 g/mol. Its IUPAC name is 4-[[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]-6-methyl-1H-pyridin-2-one
PubChem CID138023130
Molecular FormulaC14H16N6O
Molecular Weight284.32 g/mol
Exact Mass284.14
IUPAC Name4-[[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]-6-methyl-1H-pyridin-2-one
SMILESCc1nc(NCc2cc(C)[nH]c(=O)c2)c2cnn(C)c2n1
InChIInChI=1S/C14H16N6O/c1-8-4-10(5-12(21)17-8)6-15-13-11-7-16-20(3)14(11)19-9(2)18-13/h4-5,7H,6H2,1-3H3,(H,17,21)(H,15,18,19)
InChIKeyWEOLFAREZBYIBP-UHFFFAOYSA-N
XLogP1.28
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]-6-methyl-1H-pyridin-2-one 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 4-[[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]-6-methyl-1H-pyridin-2-one?
The IUPAC name of 4-[[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]-6-methyl-1H-pyridin-2-one (CID 138023130) is 4-[[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 4-[[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 4-[[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]-6-methyl-1H-pyridin-2-one is Cc1nc(NCc2cc(C)[nH]c(=O)c2)c2cnn(C)c2n1.
What is the InChIKey of 4-[[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]-6-methyl-1H-pyridin-2-one?
The InChIKey is WEOLFAREZBYIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O/c1-8-4-10(5-12(21)17-8)6-15-13-11-7-16-20(3)14(11)19-9(2)18-13/h4-5,7H,6H2,1-3H3,(H,17,21)(H,15,18,19).
What are the key properties of 4-[[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]-6-methyl-1H-pyridin-2-one?
4-[[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]-6-methyl-1H-pyridin-2-one has a molecular weight of 284.32 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 138023130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).