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

C19H23N3O — CID 9146991

IUPAC3,4-dimethyl-7-pentyl-1-phenylpyrazolo[5,4-b]pyridin-6-one
SMILESCCCCCn1c(=O)cc(C)c2c(C)nn(-c3ccccc3)c21
InChIInChI=1S/C19H23N3O/c1-4-5-9-12-21-17(23)13-14(2)18-15(3)20-22(19(18)21)16-10-7-6-8-11-16/h6-8,10-11,13H,4-5,9,12H2,1-3H3
InChIKeyWFDDGQCDRQVLCX-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.99
Rot. Bonds5

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

3,4-dimethyl-7-pentyl-1-phenylpyrazolo[5,4-b]pyridin-6-one (PubChem CID 9146991) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 3,4-dimethyl-7-pentyl-1-phenylpyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name3,4-dimethyl-7-pentyl-1-phenylpyrazolo[5,4-b]pyridin-6-one
PubChem CID9146991
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name3,4-dimethyl-7-pentyl-1-phenylpyrazolo[5,4-b]pyridin-6-one
SMILESCCCCCn1c(=O)cc(C)c2c(C)nn(-c3ccccc3)c21
InChIInChI=1S/C19H23N3O/c1-4-5-9-12-21-17(23)13-14(2)18-15(3)20-22(19(18)21)16-10-7-6-8-11-16/h6-8,10-11,13H,4-5,9,12H2,1-3H3
InChIKeyWFDDGQCDRQVLCX-UHFFFAOYSA-N
XLogP3.99
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)acetamide
CID 9147641
3,4-dimethyl-7-(2-morpholin-4-ylethyl)-1-phenylpyrazolo[5,4-b]pyridin-6-one
CID 9147164
3,4-dimethyl-1-phenyl-7-(2-piperidin-1-ium-1-ylethyl)pyrazolo[5,4-b]pyridin-6-one
CID 9147141
N-(2,6-diethylphenyl)-3-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanamide
CID 46306737
3-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-(2,4-dimethylphenyl)propanamide
CID 46306734
3-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-(2-ethoxyphenyl)propanamide
CID 46306754
N-(4-acetylphenyl)-3-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanamide
CID 46306760
ethyl 4-carbamoyl-5-[3-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanoylamino]-2-methylfuran-3-carboxylate
CID 39774439
3-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide
CID 46306801
N-(4-butylphenyl)-2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)butanamide
CID 46306667
2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-(3-nitrophenyl)acetamide
CID 9147333
6-[2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)acetyl]-4-ethyl-1,4-benzoxazin-3-one
CID 27261620

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-7-pentyl-1-phenylpyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 3,4-dimethyl-7-pentyl-1-phenylpyrazolo[5,4-b]pyridin-6-one (CID 9146991) is 3,4-dimethyl-7-pentyl-1-phenylpyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 3,4-dimethyl-7-pentyl-1-phenylpyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 3,4-dimethyl-7-pentyl-1-phenylpyrazolo[5,4-b]pyridin-6-one is CCCCCn1c(=O)cc(C)c2c(C)nn(-c3ccccc3)c21.
What is the InChIKey of 3,4-dimethyl-7-pentyl-1-phenylpyrazolo[5,4-b]pyridin-6-one?
The InChIKey is WFDDGQCDRQVLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-4-5-9-12-21-17(23)13-14(2)18-15(3)20-22(19(18)21)16-10-7-6-8-11-16/h6-8,10-11,13H,4-5,9,12H2,1-3H3.
What are the key properties of 3,4-dimethyl-7-pentyl-1-phenylpyrazolo[5,4-b]pyridin-6-one?
3,4-dimethyl-7-pentyl-1-phenylpyrazolo[5,4-b]pyridin-6-one has a molecular weight of 309.41 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-7-pentyl-1-phenylpyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 9146991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).