6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid

C16H15N3O2 — CID 2535053

IUPAC6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESCC(C)n1ncc2c(C(=O)O)cc(-c3ccccc3)nc21
InChIInChI=1S/C16H15N3O2/c1-10(2)19-15-13(9-17-19)12(16(20)21)8-14(18-15)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,20,21)
InChIKeyFVWHXCPGGVRTCS-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.38
Rot. Bonds3

About 6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid

6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid (PubChem CID 2535053) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid
PubChem CID2535053
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESCC(C)n1ncc2c(C(=O)O)cc(-c3ccccc3)nc21
InChIInChI=1S/C16H15N3O2/c1-10(2)19-15-13(9-17-19)12(16(20)21)8-14(18-15)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,20,21)
InChIKeyFVWHXCPGGVRTCS-UHFFFAOYSA-N
XLogP3.38
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid (CID 2535053) is 6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid is CC(C)n1ncc2c(C(=O)O)cc(-c3ccccc3)nc21.
What is the InChIKey of 6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
The InChIKey is FVWHXCPGGVRTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-10(2)19-15-13(9-17-19)12(16(20)21)8-14(18-15)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,20,21).
What are the key properties of 6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid has a molecular weight of 281.31 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 2535053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).