6-[2-[2-(dimethylamino)-3-methylimidazol-4-yl]ethenyl]-1,3-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid

C17H20N6O2 — CID 136549723

IUPAC6-[2-[2-(dimethylamino)-3-methylimidazol-4-yl]ethenyl]-1,3-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid
SMILESCc1nn(C)c2nc(C=Cc3cnc(N(C)C)n3C)cc(C(=O)O)c12
InChIInChI=1S/C17H20N6O2/c1-10-14-13(16(24)25)8-11(19-15(14)23(5)20-10)6-7-12-9-18-17(21(2)3)22(12)4/h6-9H,1-5H3,(H,24,25)
InChIKeyYNGMMZJWUOMALT-UHFFFAOYSA-N
MW340.39 g/mol
LogP1.94
Rot. Bonds4

About 6-[2-[2-(dimethylamino)-3-methylimidazol-4-yl]ethenyl]-1,3-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid

6-[2-[2-(dimethylamino)-3-methylimidazol-4-yl]ethenyl]-1,3-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid (PubChem CID 136549723) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is 6-[2-[2-(dimethylamino)-3-methylimidazol-4-yl]ethenyl]-1,3-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-[2-[2-(dimethylamino)-3-methylimidazol-4-yl]ethenyl]-1,3-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid
PubChem CID136549723
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name6-[2-[2-(dimethylamino)-3-methylimidazol-4-yl]ethenyl]-1,3-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid
SMILESCc1nn(C)c2nc(C=Cc3cnc(N(C)C)n3C)cc(C(=O)O)c12
InChIInChI=1S/C17H20N6O2/c1-10-14-13(16(24)25)8-11(19-15(14)23(5)20-10)6-7-12-9-18-17(21(2)3)22(12)4/h6-9H,1-5H3,(H,24,25)
InChIKeyYNGMMZJWUOMALT-UHFFFAOYSA-N
XLogP1.94
TPSA89.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 7064016
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CID 4776201
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CID 60196213
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CID 16730263
CID 16730263
CID 70686258
CID 70686258
CID 90225370
CID 90225370
CID 157037585
CID 157037585
CID 2466731
CID 2466731
CID 4774543
CID 4774543
CID 2535053
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CID 4776266
CID 4776266

Frequently Asked Questions

What is the IUPAC name of 6-[2-[2-(dimethylamino)-3-methylimidazol-4-yl]ethenyl]-1,3-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 6-[2-[2-(dimethylamino)-3-methylimidazol-4-yl]ethenyl]-1,3-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid (CID 136549723) is 6-[2-[2-(dimethylamino)-3-methylimidazol-4-yl]ethenyl]-1,3-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 6-[2-[2-(dimethylamino)-3-methylimidazol-4-yl]ethenyl]-1,3-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 6-[2-[2-(dimethylamino)-3-methylimidazol-4-yl]ethenyl]-1,3-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid is Cc1nn(C)c2nc(C=Cc3cnc(N(C)C)n3C)cc(C(=O)O)c12.
What is the InChIKey of 6-[2-[2-(dimethylamino)-3-methylimidazol-4-yl]ethenyl]-1,3-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid?
The InChIKey is YNGMMZJWUOMALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-10-14-13(16(24)25)8-11(19-15(14)23(5)20-10)6-7-12-9-18-17(21(2)3)22(12)4/h6-9H,1-5H3,(H,24,25).
What are the key properties of 6-[2-[2-(dimethylamino)-3-methylimidazol-4-yl]ethenyl]-1,3-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid?
6-[2-[2-(dimethylamino)-3-methylimidazol-4-yl]ethenyl]-1,3-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid has a molecular weight of 340.39 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[2-(dimethylamino)-3-methylimidazol-4-yl]ethenyl]-1,3-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 136549723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).