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

C20H20ClN3O2 — CID 155510528

IUPAC3-butan-2-yl-1-(4-chlorophenyl)-6-cyclopropylpyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESCCC(C)c1nn(-c2ccc(Cl)cc2)c2nc(C3CC3)cc(C(=O)O)c12
InChIInChI=1S/C20H20ClN3O2/c1-3-11(2)18-17-15(20(25)26)10-16(12-4-5-12)22-19(17)24(23-18)14-8-6-13(21)7-9-14/h6-12H,3-5H2,1-2H3,(H,25,26)
InChIKeyOZINAMPYZYKWJV-UHFFFAOYSA-N
MW369.85 g/mol
LogP5.16
Rot. Bonds5

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

3-butan-2-yl-1-(4-chlorophenyl)-6-cyclopropylpyrazolo[5,4-b]pyridine-4-carboxylic acid (PubChem CID 155510528) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is 3-butan-2-yl-1-(4-chlorophenyl)-6-cyclopropylpyrazolo[5,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-butan-2-yl-1-(4-chlorophenyl)-6-cyclopropylpyrazolo[5,4-b]pyridine-4-carboxylic acid
PubChem CID155510528
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC Name3-butan-2-yl-1-(4-chlorophenyl)-6-cyclopropylpyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESCCC(C)c1nn(-c2ccc(Cl)cc2)c2nc(C3CC3)cc(C(=O)O)c12
InChIInChI=1S/C20H20ClN3O2/c1-3-11(2)18-17-15(20(25)26)10-16(12-4-5-12)22-19(17)24(23-18)14-8-6-13(21)7-9-14/h6-12H,3-5H2,1-2H3,(H,25,26)
InChIKeyOZINAMPYZYKWJV-UHFFFAOYSA-N
XLogP5.16
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.85
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-1-(4-chlorophenyl)-6-cyclopropylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 3-butan-2-yl-1-(4-chlorophenyl)-6-cyclopropylpyrazolo[5,4-b]pyridine-4-carboxylic acid (CID 155510528) is 3-butan-2-yl-1-(4-chlorophenyl)-6-cyclopropylpyrazolo[5,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-butan-2-yl-1-(4-chlorophenyl)-6-cyclopropylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 3-butan-2-yl-1-(4-chlorophenyl)-6-cyclopropylpyrazolo[5,4-b]pyridine-4-carboxylic acid is CCC(C)c1nn(-c2ccc(Cl)cc2)c2nc(C3CC3)cc(C(=O)O)c12.
What is the InChIKey of 3-butan-2-yl-1-(4-chlorophenyl)-6-cyclopropylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
The InChIKey is OZINAMPYZYKWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c1-3-11(2)18-17-15(20(25)26)10-16(12-4-5-12)22-19(17)24(23-18)14-8-6-13(21)7-9-14/h6-12H,3-5H2,1-2H3,(H,25,26).
What are the key properties of 3-butan-2-yl-1-(4-chlorophenyl)-6-cyclopropylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
3-butan-2-yl-1-(4-chlorophenyl)-6-cyclopropylpyrazolo[5,4-b]pyridine-4-carboxylic acid has a molecular weight of 369.85 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-1-(4-chlorophenyl)-6-cyclopropylpyrazolo[5,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 155510528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).