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

C18H12ClN3O3 — CID 4178486

IUPAC1-(3-chlorophenyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESCc1nn(-c2cccc(Cl)c2)c2nc(-c3ccco3)cc(C(=O)O)c12
InChIInChI=1S/C18H12ClN3O3/c1-10-16-13(18(23)24)9-14(15-6-3-7-25-15)20-17(16)22(21-10)12-5-2-4-11(19)8-12/h2-9H,1H3,(H,23,24)
InChIKeyYABKWSWWULJVQN-UHFFFAOYSA-N
MW353.77 g/mol
LogP4.34
Rot. Bonds3

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

1-(3-chlorophenyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid (PubChem CID 4178486) has the molecular formula C18H12ClN3O3 and a molecular weight of 353.77 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-chlorophenyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid
PubChem CID4178486
Molecular FormulaC18H12ClN3O3
Molecular Weight353.77 g/mol
Exact Mass353.06
IUPAC Name1-(3-chlorophenyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESCc1nn(-c2cccc(Cl)c2)c2nc(-c3ccco3)cc(C(=O)O)c12
InChIInChI=1S/C18H12ClN3O3/c1-10-16-13(18(23)24)9-14(15-6-3-7-25-15)20-17(16)22(21-10)12-5-2-4-11(19)8-12/h2-9H,1H3,(H,23,24)
InChIKeyYABKWSWWULJVQN-UHFFFAOYSA-N
XLogP4.34
TPSA81.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.77
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 1-(3-chlorophenyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid (CID 4178486) is 1-(3-chlorophenyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 1-(3-chlorophenyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 1-(3-chlorophenyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid is Cc1nn(-c2cccc(Cl)c2)c2nc(-c3ccco3)cc(C(=O)O)c12.
What is the InChIKey of 1-(3-chlorophenyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
The InChIKey is YABKWSWWULJVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN3O3/c1-10-16-13(18(23)24)9-14(15-6-3-7-25-15)20-17(16)22(21-10)12-5-2-4-11(19)8-12/h2-9H,1H3,(H,23,24).
What are the key properties of 1-(3-chlorophenyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
1-(3-chlorophenyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid has a molecular weight of 353.77 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 4178486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).