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

C13H19N3O — CID 135406013

IUPAC3,4-dimethyl-1-pentyl-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCCCCCn1nc(C)c2c(C)cc(=O)[nH]c21
InChIInChI=1S/C13H19N3O/c1-4-5-6-7-16-13-12(10(3)15-16)9(2)8-11(17)14-13/h8H,4-7H2,1-3H3,(H,14,17)
InChIKeyUWZVXKHMRWPICM-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.53
Rot. Bonds4

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

3,4-dimethyl-1-pentyl-7H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135406013) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 3,4-dimethyl-1-pentyl-7H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name3,4-dimethyl-1-pentyl-7H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135406013
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name3,4-dimethyl-1-pentyl-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCCCCCn1nc(C)c2c(C)cc(=O)[nH]c21
InChIInChI=1S/C13H19N3O/c1-4-5-6-7-16-13-12(10(3)15-16)9(2)8-11(17)14-13/h8H,4-7H2,1-3H3,(H,14,17)
InChIKeyUWZVXKHMRWPICM-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,5-Dimethyl-4,5,7-triazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3-trien-8-one
CID 135621700
1,3,4-trimethyl-1H,6H,7H-pyrazolo(3,4-b)pyridin-6-one
CID 135447117
3,5-Dimethyl-11-thia-4,5,7-triazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3-trien-8-one
CID 135875692
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
1-(tert-butyl)-3,4-dimethyl-1H-pyrazolo[3,4-b]pyridin-6-ol
CID 135418903
1-cyclopentyl-3,4-dimethyl-1,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one
CID 135413839
N-tert-butyl-2-[1,3-dimethyl-6-oxo-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-7-yl]acetamide
CID 16026409
N-(3-methylbutyl)-2-(1,3,4-trimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl)acetamide
CID 16026215
2-[1,3-dimethyl-6-oxo-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-7-yl]-N-(3-methylbutyl)propanamide
CID 16026660
1-Cyclohexyl-3,4-dimethyl-1,7-dihydro-pyrazolo[3,4-b]pyridin-6-one
CID 135473418
1,3-dimethyl-4-(pentafluoroethyl)-1,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one
CID 135645637

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1-pentyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 3,4-dimethyl-1-pentyl-7H-pyrazolo[5,4-b]pyridin-6-one (CID 135406013) is 3,4-dimethyl-1-pentyl-7H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 3,4-dimethyl-1-pentyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 3,4-dimethyl-1-pentyl-7H-pyrazolo[5,4-b]pyridin-6-one is CCCCCn1nc(C)c2c(C)cc(=O)[nH]c21.
What is the InChIKey of 3,4-dimethyl-1-pentyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is UWZVXKHMRWPICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-4-5-6-7-16-13-12(10(3)15-16)9(2)8-11(17)14-13/h8H,4-7H2,1-3H3,(H,14,17).
What are the key properties of 3,4-dimethyl-1-pentyl-7H-pyrazolo[5,4-b]pyridin-6-one?
3,4-dimethyl-1-pentyl-7H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 233.31 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1-pentyl-7H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135406013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).