7-(2-amino-4,6-dimethylphenyl)-2-methyl-5,6-dihydro-4H-pyrazolo[3,4-b]pyridine-3-carboxylic acid

C16H20N4O2 — CID 141121374

IUPAC7-(2-amino-4,6-dimethylphenyl)-2-methyl-5,6-dihydro-4H-pyrazolo[3,4-b]pyridine-3-carboxylic acid
SMILESCc1cc(C)c(N2CCCc3c2nn(C)c3C(=O)O)c(N)c1
InChIInChI=1S/C16H20N4O2/c1-9-7-10(2)13(12(17)8-9)20-6-4-5-11-14(16(21)22)19(3)18-15(11)20/h7-8H,4-6,17H2,1-3H3,(H,21,22)
InChIKeyZUYNSPAOTBLMNK-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.40
Rot. Bonds2

About 7-(2-amino-4,6-dimethylphenyl)-2-methyl-5,6-dihydro-4H-pyrazolo[3,4-b]pyridine-3-carboxylic acid

7-(2-amino-4,6-dimethylphenyl)-2-methyl-5,6-dihydro-4H-pyrazolo[3,4-b]pyridine-3-carboxylic acid (PubChem CID 141121374) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 7-(2-amino-4,6-dimethylphenyl)-2-methyl-5,6-dihydro-4H-pyrazolo[3,4-b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name7-(2-amino-4,6-dimethylphenyl)-2-methyl-5,6-dihydro-4H-pyrazolo[3,4-b]pyridine-3-carboxylic acid
PubChem CID141121374
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name7-(2-amino-4,6-dimethylphenyl)-2-methyl-5,6-dihydro-4H-pyrazolo[3,4-b]pyridine-3-carboxylic acid
SMILESCc1cc(C)c(N2CCCc3c2nn(C)c3C(=O)O)c(N)c1
InChIInChI=1S/C16H20N4O2/c1-9-7-10(2)13(12(17)8-9)20-6-4-5-11-14(16(21)22)19(3)18-15(11)20/h7-8H,4-6,17H2,1-3H3,(H,21,22)
InChIKeyZUYNSPAOTBLMNK-UHFFFAOYSA-N
XLogP2.40
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(2-amino-4,6-dimethylphenyl)-2-methyl-5,6-dihydro-4H-pyrazolo[3,4-b]pyridine-3-carboxylic acid?
The IUPAC name of 7-(2-amino-4,6-dimethylphenyl)-2-methyl-5,6-dihydro-4H-pyrazolo[3,4-b]pyridine-3-carboxylic acid (CID 141121374) is 7-(2-amino-4,6-dimethylphenyl)-2-methyl-5,6-dihydro-4H-pyrazolo[3,4-b]pyridine-3-carboxylic acid.
What is the SMILES notation for 7-(2-amino-4,6-dimethylphenyl)-2-methyl-5,6-dihydro-4H-pyrazolo[3,4-b]pyridine-3-carboxylic acid?
The canonical SMILES for 7-(2-amino-4,6-dimethylphenyl)-2-methyl-5,6-dihydro-4H-pyrazolo[3,4-b]pyridine-3-carboxylic acid is Cc1cc(C)c(N2CCCc3c2nn(C)c3C(=O)O)c(N)c1.
What is the InChIKey of 7-(2-amino-4,6-dimethylphenyl)-2-methyl-5,6-dihydro-4H-pyrazolo[3,4-b]pyridine-3-carboxylic acid?
The InChIKey is ZUYNSPAOTBLMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-9-7-10(2)13(12(17)8-9)20-6-4-5-11-14(16(21)22)19(3)18-15(11)20/h7-8H,4-6,17H2,1-3H3,(H,21,22).
What are the key properties of 7-(2-amino-4,6-dimethylphenyl)-2-methyl-5,6-dihydro-4H-pyrazolo[3,4-b]pyridine-3-carboxylic acid?
7-(2-amino-4,6-dimethylphenyl)-2-methyl-5,6-dihydro-4H-pyrazolo[3,4-b]pyridine-3-carboxylic acid has a molecular weight of 300.36 g/mol, XLogP of 2.40, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-amino-4,6-dimethylphenyl)-2-methyl-5,6-dihydro-4H-pyrazolo[3,4-b]pyridine-3-carboxylic acid is sourced from PubChem (CID 141121374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).