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

C9H11N3O — CID 135590724

IUPAC1,3,6-trimethyl-7H-pyrazolo[5,4-b]pyridin-4-one
SMILESCc1cc(=O)c2c(C)nn(C)c2[nH]1
InChIInChI=1S/C9H11N3O/c1-5-4-7(13)8-6(2)11-12(3)9(8)10-5/h4H,1-3H3,(H,10,13)
InChIKeyQIJPNFMJFAZVQH-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.88
Rot. Bonds

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

1,3,6-trimethyl-7H-pyrazolo[5,4-b]pyridin-4-one (PubChem CID 135590724) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 1,3,6-trimethyl-7H-pyrazolo[5,4-b]pyridin-4-one.

Molecular Properties

Compound Name1,3,6-trimethyl-7H-pyrazolo[5,4-b]pyridin-4-one
PubChem CID135590724
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name1,3,6-trimethyl-7H-pyrazolo[5,4-b]pyridin-4-one
SMILESCc1cc(=O)c2c(C)nn(C)c2[nH]1
InChIInChI=1S/C9H11N3O/c1-5-4-7(13)8-6(2)11-12(3)9(8)10-5/h4H,1-3H3,(H,10,13)
InChIKeyQIJPNFMJFAZVQH-UHFFFAOYSA-N
XLogP0.88
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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
1,3-dimethyl-4-oxo-1H,4H,7H-pyrazolo(3,4-b)pyridine-6-carboxylic acid
CID 136218345
6-chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-4-ol
CID 137218174
1-(5-Amino-1,3-dimethyl-1H-pyrazol-4-yl)ethanone
CID 11116254
1,3-dimethyl-6-[4-(3-methylbutyl)piperazine-1-carbonyl]-7H-pyrazolo[5,4-b]pyridin-4-one
CID 136345682
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
1-(5-Amino-1,3-dimethyl-1H-pyrazol-4-yl)-2,2,2-trifluoroethanone
CID 21588872
5-amino-1-methyl-3-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-4-one
CID 136303222

Frequently Asked Questions

What is the IUPAC name of 1,3,6-trimethyl-7H-pyrazolo[5,4-b]pyridin-4-one?
The IUPAC name of 1,3,6-trimethyl-7H-pyrazolo[5,4-b]pyridin-4-one (CID 135590724) is 1,3,6-trimethyl-7H-pyrazolo[5,4-b]pyridin-4-one.
What is the SMILES notation for 1,3,6-trimethyl-7H-pyrazolo[5,4-b]pyridin-4-one?
The canonical SMILES for 1,3,6-trimethyl-7H-pyrazolo[5,4-b]pyridin-4-one is Cc1cc(=O)c2c(C)nn(C)c2[nH]1.
What is the InChIKey of 1,3,6-trimethyl-7H-pyrazolo[5,4-b]pyridin-4-one?
The InChIKey is QIJPNFMJFAZVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-5-4-7(13)8-6(2)11-12(3)9(8)10-5/h4H,1-3H3,(H,10,13).
What are the key properties of 1,3,6-trimethyl-7H-pyrazolo[5,4-b]pyridin-4-one?
1,3,6-trimethyl-7H-pyrazolo[5,4-b]pyridin-4-one has a molecular weight of 177.21 g/mol, XLogP of 0.88, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,6-trimethyl-7H-pyrazolo[5,4-b]pyridin-4-one is sourced from PubChem (CID 135590724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).