3,4-dimethyl-1-phenyl-7-(2-piperidin-1-ium-1-ylethyl)pyrazolo[5,4-b]pyridin-6-one

C21H27N4O+ — CID 9147141

IUPAC3,4-dimethyl-1-phenyl-7-(2-piperidin-1-ium-1-ylethyl)pyrazolo[5,4-b]pyridin-6-one
SMILESCc1cc(=O)n(CC[NH+]2CCCCC2)c2c1c(C)nn2-c1ccccc1
InChIInChI=1S/C21H26N4O/c1-16-15-19(26)24(14-13-23-11-7-4-8-12-23)21-20(16)17(2)22-25(21)18-9-5-3-6-10-18/h3,5-6,9-10,15H,4,7-8,11-14H2,1-2H3/p+1
InChIKeyRCDMGVJCJDWYFP-UHFFFAOYSA-O
MW351.47 g/mol
LogP1.87
Rot. Bonds4

About 3,4-dimethyl-1-phenyl-7-(2-piperidin-1-ium-1-ylethyl)pyrazolo[5,4-b]pyridin-6-one

3,4-dimethyl-1-phenyl-7-(2-piperidin-1-ium-1-ylethyl)pyrazolo[5,4-b]pyridin-6-one (PubChem CID 9147141) has the molecular formula C21H27N4O+ and a molecular weight of 351.47 g/mol. Its IUPAC name is 3,4-dimethyl-1-phenyl-7-(2-piperidin-1-ium-1-ylethyl)pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name3,4-dimethyl-1-phenyl-7-(2-piperidin-1-ium-1-ylethyl)pyrazolo[5,4-b]pyridin-6-one
PubChem CID9147141
Molecular FormulaC21H27N4O+
Molecular Weight351.47 g/mol
Exact Mass351.22
IUPAC Name3,4-dimethyl-1-phenyl-7-(2-piperidin-1-ium-1-ylethyl)pyrazolo[5,4-b]pyridin-6-one
SMILESCc1cc(=O)n(CC[NH+]2CCCCC2)c2c1c(C)nn2-c1ccccc1
InChIInChI=1S/C21H26N4O/c1-16-15-19(26)24(14-13-23-11-7-4-8-12-23)21-20(16)17(2)22-25(21)18-9-5-3-6-10-18/h3,5-6,9-10,15H,4,7-8,11-14H2,1-2H3/p+1
InChIKeyRCDMGVJCJDWYFP-UHFFFAOYSA-O
XLogP1.87
TPSA44.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,4-dimethyl-1-phenyl-7-(2-piperidin-1-ium-1-ylethyl)pyrazolo[5,4-b]pyridin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-dimethyl-7-pentyl-1-phenylpyrazolo[5,4-b]pyridin-6-one
CID 9146991
3,4-dimethyl-7-(2-morpholin-4-ylethyl)-1-phenylpyrazolo[5,4-b]pyridin-6-one
CID 9147164
2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)acetamide
CID 9147641
3-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-(2,4-dimethylphenyl)propanamide
CID 46306734
N-(2,6-diethylphenyl)-3-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanamide
CID 46306737
N-(4-acetylphenyl)-3-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanamide
CID 46306760
3-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-(2-ethoxyphenyl)propanamide
CID 46306754
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
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
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
4-methyl-7-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-diphenylpyrazolo[5,4-b]pyridin-6-one
CID 22575737

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1-phenyl-7-(2-piperidin-1-ium-1-ylethyl)pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 3,4-dimethyl-1-phenyl-7-(2-piperidin-1-ium-1-ylethyl)pyrazolo[5,4-b]pyridin-6-one (CID 9147141) is 3,4-dimethyl-1-phenyl-7-(2-piperidin-1-ium-1-ylethyl)pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 3,4-dimethyl-1-phenyl-7-(2-piperidin-1-ium-1-ylethyl)pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 3,4-dimethyl-1-phenyl-7-(2-piperidin-1-ium-1-ylethyl)pyrazolo[5,4-b]pyridin-6-one is Cc1cc(=O)n(CC[NH+]2CCCCC2)c2c1c(C)nn2-c1ccccc1.
What is the InChIKey of 3,4-dimethyl-1-phenyl-7-(2-piperidin-1-ium-1-ylethyl)pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is RCDMGVJCJDWYFP-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H26N4O/c1-16-15-19(26)24(14-13-23-11-7-4-8-12-23)21-20(16)17(2)22-25(21)18-9-5-3-6-10-18/h3,5-6,9-10,15H,4,7-8,11-14H2,1-2H3/p+1.
What are the key properties of 3,4-dimethyl-1-phenyl-7-(2-piperidin-1-ium-1-ylethyl)pyrazolo[5,4-b]pyridin-6-one?
3,4-dimethyl-1-phenyl-7-(2-piperidin-1-ium-1-ylethyl)pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 351.47 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1-phenyl-7-(2-piperidin-1-ium-1-ylethyl)pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 9147141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).