4-hydroxy-1-[(4-methoxyphenyl)methyl]-3,6-dimethylpyrazolo[5,4-c]pyridin-7-one

C16H17N3O3 — CID 159262504

IUPAC4-hydroxy-1-[(4-methoxyphenyl)methyl]-3,6-dimethylpyrazolo[5,4-c]pyridin-7-one
SMILESCOc1ccc(Cn2nc(C)c3c(O)cn(C)c(=O)c32)cc1
InChIInChI=1S/C16H17N3O3/c1-10-14-13(20)9-18(2)16(21)15(14)19(17-10)8-11-4-6-12(22-3)7-5-11/h4-7,9,20H,8H2,1-3H3
InChIKeyKWRPKWLDKQPSSV-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.81
Rot. Bonds3

About 4-hydroxy-1-[(4-methoxyphenyl)methyl]-3,6-dimethylpyrazolo[5,4-c]pyridin-7-one

4-hydroxy-1-[(4-methoxyphenyl)methyl]-3,6-dimethylpyrazolo[5,4-c]pyridin-7-one (PubChem CID 159262504) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 4-hydroxy-1-[(4-methoxyphenyl)methyl]-3,6-dimethylpyrazolo[5,4-c]pyridin-7-one.

Molecular Properties

Compound Name4-hydroxy-1-[(4-methoxyphenyl)methyl]-3,6-dimethylpyrazolo[5,4-c]pyridin-7-one
PubChem CID159262504
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name4-hydroxy-1-[(4-methoxyphenyl)methyl]-3,6-dimethylpyrazolo[5,4-c]pyridin-7-one
SMILESCOc1ccc(Cn2nc(C)c3c(O)cn(C)c(=O)c32)cc1
InChIInChI=1S/C16H17N3O3/c1-10-14-13(20)9-18(2)16(21)15(14)19(17-10)8-11-4-6-12(22-3)7-5-11/h4-7,9,20H,8H2,1-3H3
InChIKeyKWRPKWLDKQPSSV-UHFFFAOYSA-N
XLogP1.81
TPSA69.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-hydroxy-3-[(4-methoxyphenyl)methyl]-6-methylpyrimidin-4-one
CID 156516413
1-[4-bromo-1-[(4-methoxyphenyl)methyl]-3-methylpyrazol-5-yl]ethanone
CID 90162740
7-hydroxy-3-[(4-methoxyphenyl)methyl]-5-methylpyridazino[4,5-b]indol-4-one
CID 162683757
5-hydroxy-3-[(4-methoxyphenyl)methyl]-6,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione
CID 59823049
2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-amine
CID 23377749
5-hydroxy-2-[(4-methoxyphenyl)methyl]-6-phenylpyridazin-3-one
CID 123582637
1-[(4-methoxyphenyl)methyl]-5-methylpyrazole-3-carboxylic acid
CID 82295045
4-hydroxy-1-[(4-methoxyphenyl)methyl]pyrazole-5-carbaldehyde
CID 136922670
3-[(4-methoxyphenyl)methyl]-5-methyltriazole-4-carboxylic acid
CID 82384081
methyl 6-chloro-2-[(4-methoxyphenyl)methyl]-3-oxopyridazine-4-carboxylate
CID 171648200
N-[(4-methoxyphenyl)methyl]-3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 9208102
2-fluoro-7-[(4-methoxyphenyl)methyl]-9-methyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-one
CID 90162738

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[(4-methoxyphenyl)methyl]-3,6-dimethylpyrazolo[5,4-c]pyridin-7-one?
The IUPAC name of 4-hydroxy-1-[(4-methoxyphenyl)methyl]-3,6-dimethylpyrazolo[5,4-c]pyridin-7-one (CID 159262504) is 4-hydroxy-1-[(4-methoxyphenyl)methyl]-3,6-dimethylpyrazolo[5,4-c]pyridin-7-one.
What is the SMILES notation for 4-hydroxy-1-[(4-methoxyphenyl)methyl]-3,6-dimethylpyrazolo[5,4-c]pyridin-7-one?
The canonical SMILES for 4-hydroxy-1-[(4-methoxyphenyl)methyl]-3,6-dimethylpyrazolo[5,4-c]pyridin-7-one is COc1ccc(Cn2nc(C)c3c(O)cn(C)c(=O)c32)cc1.
What is the InChIKey of 4-hydroxy-1-[(4-methoxyphenyl)methyl]-3,6-dimethylpyrazolo[5,4-c]pyridin-7-one?
The InChIKey is KWRPKWLDKQPSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-10-14-13(20)9-18(2)16(21)15(14)19(17-10)8-11-4-6-12(22-3)7-5-11/h4-7,9,20H,8H2,1-3H3.
What are the key properties of 4-hydroxy-1-[(4-methoxyphenyl)methyl]-3,6-dimethylpyrazolo[5,4-c]pyridin-7-one?
4-hydroxy-1-[(4-methoxyphenyl)methyl]-3,6-dimethylpyrazolo[5,4-c]pyridin-7-one has a molecular weight of 299.33 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[(4-methoxyphenyl)methyl]-3,6-dimethylpyrazolo[5,4-c]pyridin-7-one is sourced from PubChem (CID 159262504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).