1-(2H-pyrazolo[3,4-b]pyridin-3-yl)propan-1-one

C9H9N3O — CID 134369259

IUPAC1-(2H-pyrazolo[3,4-b]pyridin-3-yl)propan-1-one
SMILESCCC(=O)c1[nH]nc2ncccc12
InChIInChI=1S/C9H9N3O/c1-2-7(13)8-6-4-3-5-10-9(6)12-11-8/h3-5H,2H2,1H3,(H,10,11,12)
InChIKeyHECRWDSBLCHIMI-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.55
Rot. Bonds2

About 1-(2H-pyrazolo[3,4-b]pyridin-3-yl)propan-1-one

1-(2H-pyrazolo[3,4-b]pyridin-3-yl)propan-1-one (PubChem CID 134369259) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 1-(2H-pyrazolo[3,4-b]pyridin-3-yl)propan-1-one.

Molecular Properties

Compound Name1-(2H-pyrazolo[3,4-b]pyridin-3-yl)propan-1-one
PubChem CID134369259
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name1-(2H-pyrazolo[3,4-b]pyridin-3-yl)propan-1-one
SMILESCCC(=O)c1[nH]nc2ncccc12
InChIInChI=1S/C9H9N3O/c1-2-7(13)8-6-4-3-5-10-9(6)12-11-8/h3-5H,2H2,1H3,(H,10,11,12)
InChIKeyHECRWDSBLCHIMI-UHFFFAOYSA-N
XLogP1.55
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methylamino)-1-(2H-pyrazolo[3,4-b]pyridin-3-yl)ethanone
CID 84662548
2-(2,3-difluorophenyl)-1-(2H-pyrazolo[3,4-b]pyridin-3-yl)ethanone
CID 59832206
ethane;3-methyl-2H-pyrazolo[3,4-b]pyridine;propane
CID 143179270
ethyl 2,3-dihydroxy-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)propanoate
CID 171866282
ethyl 3-(2H-pyrazolo[3,4-b]pyridin-3-yl)prop-2-enoate
CID 76681112
11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl(2H-pyrazolo[3,4-b]pyridin-3-yl)methanone
CID 167910121
[(3aS,7aR)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-(2H-pyrazolo[3,4-b]pyridin-3-yl)methanone
CID 167808185
N-[(2R)-1-(4-methylcyclohexyl)propan-2-yl]-2H-pyrazolo[3,4-b]pyridine-3-carboxamide
CID 129127699
1-(2-methyl-3-pyridinyl)propan-1-one
CID 67478266
4-(2H-pyrazolo[3,4-b]pyridin-3-yl)but-3-enoic acid
CID 170483714
methyl 2,2-dimethyl-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)propanoate
CID 58057636
N-[2-(2-tert-butylphenoxy)ethyl]-N-methyl-2H-pyrazolo[3,4-b]pyridine-3-carboxamide
CID 86272528

Frequently Asked Questions

What is the IUPAC name of 1-(2H-pyrazolo[3,4-b]pyridin-3-yl)propan-1-one?
The IUPAC name of 1-(2H-pyrazolo[3,4-b]pyridin-3-yl)propan-1-one (CID 134369259) is 1-(2H-pyrazolo[3,4-b]pyridin-3-yl)propan-1-one.
What is the SMILES notation for 1-(2H-pyrazolo[3,4-b]pyridin-3-yl)propan-1-one?
The canonical SMILES for 1-(2H-pyrazolo[3,4-b]pyridin-3-yl)propan-1-one is CCC(=O)c1[nH]nc2ncccc12.
What is the InChIKey of 1-(2H-pyrazolo[3,4-b]pyridin-3-yl)propan-1-one?
The InChIKey is HECRWDSBLCHIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c1-2-7(13)8-6-4-3-5-10-9(6)12-11-8/h3-5H,2H2,1H3,(H,10,11,12).
What are the key properties of 1-(2H-pyrazolo[3,4-b]pyridin-3-yl)propan-1-one?
1-(2H-pyrazolo[3,4-b]pyridin-3-yl)propan-1-one has a molecular weight of 175.19 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2H-pyrazolo[3,4-b]pyridin-3-yl)propan-1-one is sourced from PubChem (CID 134369259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).