1-(4-amino-1-methylpyrazolo[3,4-b]pyridin-5-yl)ethanone

C9H10N4O — CID 123677615

IUPAC1-(4-amino-1-methylpyrazolo[3,4-b]pyridin-5-yl)ethanone
SMILESCC(=O)c1cnc2c(cnn2C)c1N
InChIInChI=1S/C9H10N4O/c1-5(14)6-3-11-9-7(8(6)10)4-12-13(9)2/h3-4H,1-2H3,(H2,10,11)
InChIKeyFKHVLYHFZFULAE-UHFFFAOYSA-N
MW190.21 g/mol
LogP0.75
Rot. Bonds1

About 1-(4-amino-1-methylpyrazolo[3,4-b]pyridin-5-yl)ethanone

1-(4-amino-1-methylpyrazolo[3,4-b]pyridin-5-yl)ethanone (PubChem CID 123677615) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is 1-(4-amino-1-methylpyrazolo[3,4-b]pyridin-5-yl)ethanone.

Molecular Properties

Compound Name1-(4-amino-1-methylpyrazolo[3,4-b]pyridin-5-yl)ethanone
PubChem CID123677615
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name1-(4-amino-1-methylpyrazolo[3,4-b]pyridin-5-yl)ethanone
SMILESCC(=O)c1cnc2c(cnn2C)c1N
InChIInChI=1S/C9H10N4O/c1-5(14)6-3-11-9-7(8(6)10)4-12-13(9)2/h3-4H,1-2H3,(H2,10,11)
InChIKeyFKHVLYHFZFULAE-UHFFFAOYSA-N
XLogP0.75
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,2-dimethylbutylamino)-1-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 103462079
4-amino-N-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 14590541
1-methyl-4-(3-methylbutan-2-ylsulfanyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 107747253
ethane;1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 143264470
methyl 4-amino-1,6-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 127243781
4-(4-methoxyphenoxy)-1-methylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 7072454
4-[(2-ethoxy-2-methylpropyl)amino]-1-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 114942706
1-[5-(aminomethyl)-1-methylpyrazol-4-yl]ethanone
CID 165464413
1-methyl-4-(2-methylbutylsulfanyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 107747320
1-(4,8-diamino-6-methylimidazo[1,5-a]pyrimidin-3-yl)ethanone
CID 76849308
4-(4-hydroxy-3-methylpiperidin-1-yl)-1-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 114678908
1,4-dimethylpyrazolo[3,4-d]pyrimidin-6-amine
CID 82415128

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-1-methylpyrazolo[3,4-b]pyridin-5-yl)ethanone?
The IUPAC name of 1-(4-amino-1-methylpyrazolo[3,4-b]pyridin-5-yl)ethanone (CID 123677615) is 1-(4-amino-1-methylpyrazolo[3,4-b]pyridin-5-yl)ethanone.
What is the SMILES notation for 1-(4-amino-1-methylpyrazolo[3,4-b]pyridin-5-yl)ethanone?
The canonical SMILES for 1-(4-amino-1-methylpyrazolo[3,4-b]pyridin-5-yl)ethanone is CC(=O)c1cnc2c(cnn2C)c1N.
What is the InChIKey of 1-(4-amino-1-methylpyrazolo[3,4-b]pyridin-5-yl)ethanone?
The InChIKey is FKHVLYHFZFULAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c1-5(14)6-3-11-9-7(8(6)10)4-12-13(9)2/h3-4H,1-2H3,(H2,10,11).
What are the key properties of 1-(4-amino-1-methylpyrazolo[3,4-b]pyridin-5-yl)ethanone?
1-(4-amino-1-methylpyrazolo[3,4-b]pyridin-5-yl)ethanone has a molecular weight of 190.21 g/mol, XLogP of 0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-1-methylpyrazolo[3,4-b]pyridin-5-yl)ethanone is sourced from PubChem (CID 123677615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).