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

C17H17N3O2 — CID 18802094

IUPAC3-methyl-1-phenyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESCc1nn(-c2ccccc2)c2nc(C(C)C)cc(C(=O)O)c12
InChIInChI=1S/C17H17N3O2/c1-10(2)14-9-13(17(21)22)15-11(3)19-20(16(15)18-14)12-7-5-4-6-8-12/h4-10H,1-3H3,(H,21,22)
InChIKeyOXKCSPSWZWVIOF-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.55
Rot. Bonds3

About 3-methyl-1-phenyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid

3-methyl-1-phenyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid (PubChem CID 18802094) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 3-methyl-1-phenyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-phenyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid
PubChem CID18802094
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name3-methyl-1-phenyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESCc1nn(-c2ccccc2)c2nc(C(C)C)cc(C(=O)O)c12
InChIInChI=1S/C17H17N3O2/c1-10(2)14-9-13(17(21)22)15-11(3)19-20(16(15)18-14)12-7-5-4-6-8-12/h4-10H,1-3H3,(H,21,22)
InChIKeyOXKCSPSWZWVIOF-UHFFFAOYSA-N
XLogP3.55
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-phenyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 3-methyl-1-phenyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid (CID 18802094) is 3-methyl-1-phenyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-methyl-1-phenyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 3-methyl-1-phenyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid is Cc1nn(-c2ccccc2)c2nc(C(C)C)cc(C(=O)O)c12.
What is the InChIKey of 3-methyl-1-phenyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
The InChIKey is OXKCSPSWZWVIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-10(2)14-9-13(17(21)22)15-11(3)19-20(16(15)18-14)12-7-5-4-6-8-12/h4-10H,1-3H3,(H,21,22).
What are the key properties of 3-methyl-1-phenyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
3-methyl-1-phenyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid has a molecular weight of 295.34 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-phenyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 18802094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).