6-(furan-2-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid

C18H13N3O3 — CID 2998778

IUPAC6-(furan-2-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESCc1nn(-c2ccccc2)c2nc(-c3ccco3)cc(C(=O)O)c12
InChIInChI=1S/C18H13N3O3/c1-11-16-13(18(22)23)10-14(15-8-5-9-24-15)19-17(16)21(20-11)12-6-3-2-4-7-12/h2-10H,1H3,(H,22,23)
InChIKeyZOUZSYLRQPADOJ-UHFFFAOYSA-N
MW319.32 g/mol
LogP3.69
Rot. Bonds3

About 6-(furan-2-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid

6-(furan-2-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid (PubChem CID 2998778) has the molecular formula C18H13N3O3 and a molecular weight of 319.32 g/mol. Its IUPAC name is 6-(furan-2-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-(furan-2-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid
PubChem CID2998778
Molecular FormulaC18H13N3O3
Molecular Weight319.32 g/mol
Exact Mass319.10
IUPAC Name6-(furan-2-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESCc1nn(-c2ccccc2)c2nc(-c3ccco3)cc(C(=O)O)c12
InChIInChI=1S/C18H13N3O3/c1-11-16-13(18(22)23)10-14(15-8-5-9-24-15)19-17(16)21(20-11)12-6-3-2-4-7-12/h2-10H,1H3,(H,22,23)
InChIKeyZOUZSYLRQPADOJ-UHFFFAOYSA-N
XLogP3.69
TPSA81.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 6-(furan-2-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid (CID 2998778) is 6-(furan-2-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 6-(furan-2-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 6-(furan-2-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid is Cc1nn(-c2ccccc2)c2nc(-c3ccco3)cc(C(=O)O)c12.
What is the InChIKey of 6-(furan-2-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
The InChIKey is ZOUZSYLRQPADOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O3/c1-11-16-13(18(22)23)10-14(15-8-5-9-24-15)19-17(16)21(20-11)12-6-3-2-4-7-12/h2-10H,1H3,(H,22,23).
What are the key properties of 6-(furan-2-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
6-(furan-2-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid has a molecular weight of 319.32 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 2998778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).