3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxylic acid

C15H13N3O2 — CID 7174615

IUPAC3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxylic acid
SMILESCc1cc(C(=O)O)c2c(C)nn(-c3ccccc3)c2n1
InChIInChI=1S/C15H13N3O2/c1-9-8-12(15(19)20)13-10(2)17-18(14(13)16-9)11-6-4-3-5-7-11/h3-8H,1-2H3,(H,19,20)
InChIKeyGGNIHFFEYHWPQO-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.74
Rot. Bonds2

About 3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxylic acid

3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxylic acid (PubChem CID 7174615) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxylic acid
PubChem CID7174615
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxylic acid
SMILESCc1cc(C(=O)O)c2c(C)nn(-c3ccccc3)c2n1
InChIInChI=1S/C15H13N3O2/c1-9-8-12(15(19)20)13-10(2)17-18(14(13)16-9)11-6-4-3-5-7-11/h3-8H,1-2H3,(H,19,20)
InChIKeyGGNIHFFEYHWPQO-UHFFFAOYSA-N
XLogP2.74
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxylic acid (CID 7174615) is 3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxylic acid is Cc1cc(C(=O)O)c2c(C)nn(-c3ccccc3)c2n1.
What is the InChIKey of 3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxylic acid?
The InChIKey is GGNIHFFEYHWPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-9-8-12(15(19)20)13-10(2)17-18(14(13)16-9)11-6-4-3-5-7-11/h3-8H,1-2H3,(H,19,20).
What are the key properties of 3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxylic acid?
3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxylic acid has a molecular weight of 267.29 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 7174615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).