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

C18H12ClN3O3 — CID 4962711

IUPAC1-[(4-chlorophenyl)methyl]-6-(furan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccco2)nc2c1cnn2Cc1ccc(Cl)cc1
InChIInChI=1S/C18H12ClN3O3/c19-12-5-3-11(4-6-12)10-22-17-14(9-20-22)13(18(23)24)8-15(21-17)16-2-1-7-25-16/h1-9H,10H2,(H,23,24)
InChIKeyAUFXIGADXYZBAI-UHFFFAOYSA-N
MW353.77 g/mol
LogP4.09
Rot. Bonds4

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

1-[(4-chlorophenyl)methyl]-6-(furan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylic acid (PubChem CID 4962711) has the molecular formula C18H12ClN3O3 and a molecular weight of 353.77 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-6-(furan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-6-(furan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
PubChem CID4962711
Molecular FormulaC18H12ClN3O3
Molecular Weight353.77 g/mol
Exact Mass353.06
IUPAC Name1-[(4-chlorophenyl)methyl]-6-(furan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccco2)nc2c1cnn2Cc1ccc(Cl)cc1
InChIInChI=1S/C18H12ClN3O3/c19-12-5-3-11(4-6-12)10-22-17-14(9-20-22)13(18(23)24)8-15(21-17)16-2-1-7-25-16/h1-9H,10H2,(H,23,24)
InChIKeyAUFXIGADXYZBAI-UHFFFAOYSA-N
XLogP4.09
TPSA81.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.77
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-6-(furan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-6-(furan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylic acid (CID 4962711) is 1-[(4-chlorophenyl)methyl]-6-(furan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-6-(furan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-6-(furan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylic acid is O=C(O)c1cc(-c2ccco2)nc2c1cnn2Cc1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-6-(furan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The InChIKey is AUFXIGADXYZBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN3O3/c19-12-5-3-11(4-6-12)10-22-17-14(9-20-22)13(18(23)24)8-15(21-17)16-2-1-7-25-16/h1-9H,10H2,(H,23,24).
What are the key properties of 1-[(4-chlorophenyl)methyl]-6-(furan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylic acid?
1-[(4-chlorophenyl)methyl]-6-(furan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylic acid has a molecular weight of 353.77 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-6-(furan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 4962711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).