1,3-dimethyl-6,7-dihydro-5H-pyrazolo[5,4-b]pyridin-4-one

C8H11N3O — CID 139022587

IUPAC1,3-dimethyl-6,7-dihydro-5H-pyrazolo[5,4-b]pyridin-4-one
SMILESCc1nn(C)c2c1C(=O)CCN2
InChIInChI=1S/C8H11N3O/c1-5-7-6(12)3-4-9-8(7)11(2)10-5/h9H,3-4H2,1-2H3
InChIKeyDFIMEJHWGKCMJJ-UHFFFAOYSA-N
MW165.20 g/mol
LogP0.73
Rot. Bonds

About 1,3-dimethyl-6,7-dihydro-5H-pyrazolo[5,4-b]pyridin-4-one

1,3-dimethyl-6,7-dihydro-5H-pyrazolo[5,4-b]pyridin-4-one (PubChem CID 139022587) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 1,3-dimethyl-6,7-dihydro-5H-pyrazolo[5,4-b]pyridin-4-one.

Molecular Properties

Compound Name1,3-dimethyl-6,7-dihydro-5H-pyrazolo[5,4-b]pyridin-4-one
PubChem CID139022587
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name1,3-dimethyl-6,7-dihydro-5H-pyrazolo[5,4-b]pyridin-4-one
SMILESCc1nn(C)c2c1C(=O)CCN2
InChIInChI=1S/C8H11N3O/c1-5-7-6(12)3-4-9-8(7)11(2)10-5/h9H,3-4H2,1-2H3
InChIKeyDFIMEJHWGKCMJJ-UHFFFAOYSA-N
XLogP0.73
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,6-Dimethyl-2,4,5-triazatricyclo[7.3.0.0^{3,7}]dodeca-1(9),3(7),5-trien-8-one
CID 135875690
4,6-Dimethyl-11-thia-2,4,5-triazatricyclo[7.3.0.0^{3,7}]dodeca-1(9),3(7),5-trien-8-one
CID 135452280
1,3-Dimethyl-6-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-4-ol
CID 135424139
1,3-dimethyl-1H,4H,5H,6H,7H,8H,9H-pyrazolo[3,4-b]quinolin-4-one
CID 135875691
1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-4-ol
CID 135772535
1-[(5R)-5-[(1E,3Z,5E)-6-fluorohepta-1,3,5-trienyl]-2,7,7-trimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl]ethanone
CID 137203681
5,5-difluoro-1,3-dimethyl-7H-pyrazolo[5,4-b]pyridine-4,6-dione
CID 168146503
3-amino-2-pentan-3-yl-7H-pyrazolo[4,3-c]pyridine-4,6-dione
CID 9813452
3-amino-2-heptan-4-yl-7H-pyrazolo[4,3-c]pyridine-4,6-dione
CID 9835041
1-[1,3-Dimethyl-5-(methylamino)pyrazol-4-yl]ethanone
CID 20703770
3-amino-2-hexyl-7H-pyrazolo[4,3-c]pyridine-4,6-dione
CID 60103957
3-amino-2-(2-ethylbutyl)-7H-pyrazolo[4,3-c]pyridine-4,6-dione
CID 60104012

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6,7-dihydro-5H-pyrazolo[5,4-b]pyridin-4-one?
The IUPAC name of 1,3-dimethyl-6,7-dihydro-5H-pyrazolo[5,4-b]pyridin-4-one (CID 139022587) is 1,3-dimethyl-6,7-dihydro-5H-pyrazolo[5,4-b]pyridin-4-one.
What is the SMILES notation for 1,3-dimethyl-6,7-dihydro-5H-pyrazolo[5,4-b]pyridin-4-one?
The canonical SMILES for 1,3-dimethyl-6,7-dihydro-5H-pyrazolo[5,4-b]pyridin-4-one is Cc1nn(C)c2c1C(=O)CCN2.
What is the InChIKey of 1,3-dimethyl-6,7-dihydro-5H-pyrazolo[5,4-b]pyridin-4-one?
The InChIKey is DFIMEJHWGKCMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c1-5-7-6(12)3-4-9-8(7)11(2)10-5/h9H,3-4H2,1-2H3.
What are the key properties of 1,3-dimethyl-6,7-dihydro-5H-pyrazolo[5,4-b]pyridin-4-one?
1,3-dimethyl-6,7-dihydro-5H-pyrazolo[5,4-b]pyridin-4-one has a molecular weight of 165.20 g/mol, XLogP of 0.73, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6,7-dihydro-5H-pyrazolo[5,4-b]pyridin-4-one is sourced from PubChem (CID 139022587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).