1-(3,5-dichlorophenyl)-4-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-3-carboxylic acid

C14H9Cl2N3O3 — CID 136817813

IUPAC1-(3,5-dichlorophenyl)-4-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-3-carboxylic acid
SMILESCc1cc(=O)[nH]c2c1c(C(=O)O)nn2-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H9Cl2N3O3/c1-6-2-10(20)17-13-11(6)12(14(21)22)18-19(13)9-4-7(15)3-8(16)5-9/h2-5H,1H3,(H,17,20)(H,21,22)
InChIKeyHGEMYJOGUPVUNH-UHFFFAOYSA-N
MW338.15 g/mol
LogP3.03
Rot. Bonds2

About 1-(3,5-dichlorophenyl)-4-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-3-carboxylic acid

1-(3,5-dichlorophenyl)-4-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-3-carboxylic acid (PubChem CID 136817813) has the molecular formula C14H9Cl2N3O3 and a molecular weight of 338.15 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-4-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-4-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-3-carboxylic acid
PubChem CID136817813
Molecular FormulaC14H9Cl2N3O3
Molecular Weight338.15 g/mol
Exact Mass337.00
IUPAC Name1-(3,5-dichlorophenyl)-4-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-3-carboxylic acid
SMILESCc1cc(=O)[nH]c2c1c(C(=O)O)nn2-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H9Cl2N3O3/c1-6-2-10(20)17-13-11(6)12(14(21)22)18-19(13)9-4-7(15)3-8(16)5-9/h2-5H,1H3,(H,17,20)(H,21,22)
InChIKeyHGEMYJOGUPVUNH-UHFFFAOYSA-N
XLogP3.03
TPSA87.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.15
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-6-oxo-1-(1-phenylimidazol-2-yl)-7H-pyrazolo[5,4-b]pyridine-3-carboxylic acid
CID 136817811
1-(4-ethylphenyl)-3,4-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135686640
4-chloro-5-methyl-1-(3,4,5-trifluorophenyl)pyrazole-3-carboxylic acid
CID 79194285
1-(3-fluorophenyl)-3-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 170916889
3,4-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135780270
2-[4-[(4-chlorophenyl)-cyanomethyl]-3,5-dimethylphenyl]-3,5-dioxo-1,2,4-triazine-6-carboxylic acid
CID 21288228
1-(4-chloro-2-methylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid
CID 43363545
1-(3,5-dichlorophenyl)-5-ethyl-4-oxopyridazine-3-carboxylic acid
CID 63951631
4-methyl-1-(4-methylphenyl)-6-oxopyridazine-3-carboxylic acid
CID 169228604
1-(5-chloro-2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 82587208
8-chloro-5-methyl-4-oxo-3-phenylpyridazino[4,5-b]indole-1-carboxylic acid
CID 57216606
4-oxo-1-pyridin-2-yl-9H-pyrazolo[5,4-b]quinoline-3-carboxylic acid
CID 135848103

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-4-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-3-carboxylic acid?
The IUPAC name of 1-(3,5-dichlorophenyl)-4-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-3-carboxylic acid (CID 136817813) is 1-(3,5-dichlorophenyl)-4-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-3-carboxylic acid.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-4-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-3-carboxylic acid?
The canonical SMILES for 1-(3,5-dichlorophenyl)-4-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-3-carboxylic acid is Cc1cc(=O)[nH]c2c1c(C(=O)O)nn2-c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-4-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-3-carboxylic acid?
The InChIKey is HGEMYJOGUPVUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N3O3/c1-6-2-10(20)17-13-11(6)12(14(21)22)18-19(13)9-4-7(15)3-8(16)5-9/h2-5H,1H3,(H,17,20)(H,21,22).
What are the key properties of 1-(3,5-dichlorophenyl)-4-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-3-carboxylic acid?
1-(3,5-dichlorophenyl)-4-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-3-carboxylic acid has a molecular weight of 338.15 g/mol, XLogP of 3.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-4-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-3-carboxylic acid is sourced from PubChem (CID 136817813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).