4-(3,5-dimethoxy-4-methylphenyl)-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one

C16H17N3O3 — CID 177321527

IUPAC4-(3,5-dimethoxy-4-methylphenyl)-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one
SMILESCOc1cc(-c2cn(C)c(=O)c3[nH]ncc23)cc(OC)c1C
InChIInChI=1S/C16H17N3O3/c1-9-13(21-3)5-10(6-14(9)22-4)12-8-19(2)16(20)15-11(12)7-17-18-15/h5-8H,1-4H3,(H,17,18)
InChIKeyXJJIVQGKHHYMIN-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.25
Rot. Bonds3

About 4-(3,5-dimethoxy-4-methylphenyl)-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one

4-(3,5-dimethoxy-4-methylphenyl)-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one (PubChem CID 177321527) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 4-(3,5-dimethoxy-4-methylphenyl)-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one.

Molecular Properties

Compound Name4-(3,5-dimethoxy-4-methylphenyl)-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one
PubChem CID177321527
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name4-(3,5-dimethoxy-4-methylphenyl)-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one
SMILESCOc1cc(-c2cn(C)c(=O)c3[nH]ncc23)cc(OC)c1C
InChIInChI=1S/C16H17N3O3/c1-9-13(21-3)5-10(6-14(9)22-4)12-8-19(2)16(20)15-11(12)7-17-18-15/h5-8H,1-4H3,(H,17,18)
InChIKeyXJJIVQGKHHYMIN-UHFFFAOYSA-N
XLogP2.25
TPSA69.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethoxy-4-methylphenyl)-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one?
The IUPAC name of 4-(3,5-dimethoxy-4-methylphenyl)-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one (CID 177321527) is 4-(3,5-dimethoxy-4-methylphenyl)-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one.
What is the SMILES notation for 4-(3,5-dimethoxy-4-methylphenyl)-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one?
The canonical SMILES for 4-(3,5-dimethoxy-4-methylphenyl)-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one is COc1cc(-c2cn(C)c(=O)c3[nH]ncc23)cc(OC)c1C.
What is the InChIKey of 4-(3,5-dimethoxy-4-methylphenyl)-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one?
The InChIKey is XJJIVQGKHHYMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-9-13(21-3)5-10(6-14(9)22-4)12-8-19(2)16(20)15-11(12)7-17-18-15/h5-8H,1-4H3,(H,17,18).
What are the key properties of 4-(3,5-dimethoxy-4-methylphenyl)-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one?
4-(3,5-dimethoxy-4-methylphenyl)-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one has a molecular weight of 299.33 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethoxy-4-methylphenyl)-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one is sourced from PubChem (CID 177321527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).