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

C17H15N3O2 — CID 25248176

IUPAC3-cyclopropyl-6-methyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxylic acid
SMILESCc1cc(C(=O)O)c2c(C3CC3)nn(-c3ccccc3)c2n1
InChIInChI=1S/C17H15N3O2/c1-10-9-13(17(21)22)14-15(11-7-8-11)19-20(16(14)18-10)12-5-3-2-4-6-12/h2-6,9,11H,7-8H2,1H3,(H,21,22)
InChIKeyHVYMFRFJECULBQ-UHFFFAOYSA-N
MW293.33 g/mol
LogP3.30
Rot. Bonds3

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

3-cyclopropyl-6-methyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxylic acid (PubChem CID 25248176) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 3-cyclopropyl-6-methyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-cyclopropyl-6-methyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxylic acid
PubChem CID25248176
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name3-cyclopropyl-6-methyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxylic acid
SMILESCc1cc(C(=O)O)c2c(C3CC3)nn(-c3ccccc3)c2n1
InChIInChI=1S/C17H15N3O2/c1-10-9-13(17(21)22)14-15(11-7-8-11)19-20(16(14)18-10)12-5-3-2-4-6-12/h2-6,9,11H,7-8H2,1H3,(H,21,22)
InChIKeyHVYMFRFJECULBQ-UHFFFAOYSA-N
XLogP3.30
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-methyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 3-cyclopropyl-6-methyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxylic acid (CID 25248176) is 3-cyclopropyl-6-methyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-cyclopropyl-6-methyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 3-cyclopropyl-6-methyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxylic acid is Cc1cc(C(=O)O)c2c(C3CC3)nn(-c3ccccc3)c2n1.
What is the InChIKey of 3-cyclopropyl-6-methyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxylic acid?
The InChIKey is HVYMFRFJECULBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-10-9-13(17(21)22)14-15(11-7-8-11)19-20(16(14)18-10)12-5-3-2-4-6-12/h2-6,9,11H,7-8H2,1H3,(H,21,22).
What are the key properties of 3-cyclopropyl-6-methyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxylic acid?
3-cyclopropyl-6-methyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxylic acid has a molecular weight of 293.33 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-methyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 25248176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).