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

C13H19N3O — CID 135734239

IUPAC3-methyl-1,4-dipropyl-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCCCc1cc(=O)[nH]c2c1c(C)nn2CCC
InChIInChI=1S/C13H19N3O/c1-4-6-10-8-11(17)14-13-12(10)9(3)15-16(13)7-5-2/h8H,4-7H2,1-3H3,(H,14,17)
InChIKeyWPBDSUJBKMYPIQ-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.40
Rot. Bonds4

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

3-methyl-1,4-dipropyl-7H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135734239) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-methyl-1,4-dipropyl-7H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name3-methyl-1,4-dipropyl-7H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135734239
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name3-methyl-1,4-dipropyl-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCCCc1cc(=O)[nH]c2c1c(C)nn2CCC
InChIInChI=1S/C13H19N3O/c1-4-6-10-8-11(17)14-13-12(10)9(3)15-16(13)7-5-2/h8H,4-7H2,1-3H3,(H,14,17)
InChIKeyWPBDSUJBKMYPIQ-UHFFFAOYSA-N
XLogP2.40
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-ol
CID 135459218
1,3-Dimethyl-3,4,6,7,8,9-hexahydropyrazolo[3,4-c]isoquinolin-5-one
CID 135512456
3,5-Dimethyl-4,5,7-triazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3-trien-8-one
CID 135621700
1,4-dimethyl-3-phenyl-1H-pyrazolo[3,4-b]pyridin-6-ol
CID 135418904
1,3,4-trimethyl-1H,6H,7H-pyrazolo(3,4-b)pyridin-6-one
CID 135447117
5-Tert-butyl-3-methyl-4,5,7-triazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3-trien-8-one
CID 135875699
3-[3-methyl-6-oxo-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-1-yl]propanenitrile
CID 135495515
1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-3,4-dimethyl-1,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one
CID 135471693
4-(4-Aminocyclohexyl)-3-methyl-2,7-dihydropyrazolo[3,4-b]pyridin-6-one
CID 156011956
4-Cyclohexyl-3-methyl-2,7-dihydropyrazolo[3,4-b]pyridin-6-one
CID 156012065
3-methyl-4-[(1S,2R)-2-methylcyclohexyl]-2,7-dihydropyrazolo[3,4-b]pyridin-6-one
CID 156015109
4-Cyclopentyl-3-methyl-2,7-dihydropyrazolo[3,4-b]pyridin-6-one
CID 156015197

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,4-dipropyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 3-methyl-1,4-dipropyl-7H-pyrazolo[5,4-b]pyridin-6-one (CID 135734239) is 3-methyl-1,4-dipropyl-7H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 3-methyl-1,4-dipropyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 3-methyl-1,4-dipropyl-7H-pyrazolo[5,4-b]pyridin-6-one is CCCc1cc(=O)[nH]c2c1c(C)nn2CCC.
What is the InChIKey of 3-methyl-1,4-dipropyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is WPBDSUJBKMYPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-4-6-10-8-11(17)14-13-12(10)9(3)15-16(13)7-5-2/h8H,4-7H2,1-3H3,(H,14,17).
What are the key properties of 3-methyl-1,4-dipropyl-7H-pyrazolo[5,4-b]pyridin-6-one?
3-methyl-1,4-dipropyl-7H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 233.31 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,4-dipropyl-7H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135734239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).