1-[(2-chloro-4-fluorophenyl)methyl]-6-(trifluoromethyl)pyrazolo[4,3-b]pyridine-3-carboxylic acid

C15H8ClF4N3O2 — CID 69403054

IUPAC1-[(2-chloro-4-fluorophenyl)methyl]-6-(trifluoromethyl)pyrazolo[4,3-b]pyridine-3-carboxylic acid
SMILESO=C(O)c1nn(Cc2ccc(F)cc2Cl)c2cc(C(F)(F)F)cnc12
InChIInChI=1S/C15H8ClF4N3O2/c16-10-4-9(17)2-1-7(10)6-23-11-3-8(15(18,19)20)5-21-12(11)13(22-23)14(24)25/h1-5H,6H2,(H,24,25)
InChIKeyYCRHEJAUGWSXMR-UHFFFAOYSA-N
MW373.69 g/mol
LogP3.99
Rot. Bonds3

About 1-[(2-chloro-4-fluorophenyl)methyl]-6-(trifluoromethyl)pyrazolo[4,3-b]pyridine-3-carboxylic acid

1-[(2-chloro-4-fluorophenyl)methyl]-6-(trifluoromethyl)pyrazolo[4,3-b]pyridine-3-carboxylic acid (PubChem CID 69403054) has the molecular formula C15H8ClF4N3O2 and a molecular weight of 373.69 g/mol. Its IUPAC name is 1-[(2-chloro-4-fluorophenyl)methyl]-6-(trifluoromethyl)pyrazolo[4,3-b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2-chloro-4-fluorophenyl)methyl]-6-(trifluoromethyl)pyrazolo[4,3-b]pyridine-3-carboxylic acid
PubChem CID69403054
Molecular FormulaC15H8ClF4N3O2
Molecular Weight373.69 g/mol
Exact Mass373.02
IUPAC Name1-[(2-chloro-4-fluorophenyl)methyl]-6-(trifluoromethyl)pyrazolo[4,3-b]pyridine-3-carboxylic acid
SMILESO=C(O)c1nn(Cc2ccc(F)cc2Cl)c2cc(C(F)(F)F)cnc12
InChIInChI=1S/C15H8ClF4N3O2/c16-10-4-9(17)2-1-7(10)6-23-11-3-8(15(18,19)20)5-21-12(11)13(22-23)14(24)25/h1-5H,6H2,(H,24,25)
InChIKeyYCRHEJAUGWSXMR-UHFFFAOYSA-N
XLogP3.99
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.69
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(2-chloro-4-fluorophenyl)methyl]-6-(trifluoromethyl)pyrazolo[4,3-b]pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-4-fluorophenyl)methyl]-6-(trifluoromethyl)pyrazolo[4,3-b]pyridine-3-carboxylic acid?
The IUPAC name of 1-[(2-chloro-4-fluorophenyl)methyl]-6-(trifluoromethyl)pyrazolo[4,3-b]pyridine-3-carboxylic acid (CID 69403054) is 1-[(2-chloro-4-fluorophenyl)methyl]-6-(trifluoromethyl)pyrazolo[4,3-b]pyridine-3-carboxylic acid.
What is the SMILES notation for 1-[(2-chloro-4-fluorophenyl)methyl]-6-(trifluoromethyl)pyrazolo[4,3-b]pyridine-3-carboxylic acid?
The canonical SMILES for 1-[(2-chloro-4-fluorophenyl)methyl]-6-(trifluoromethyl)pyrazolo[4,3-b]pyridine-3-carboxylic acid is O=C(O)c1nn(Cc2ccc(F)cc2Cl)c2cc(C(F)(F)F)cnc12.
What is the InChIKey of 1-[(2-chloro-4-fluorophenyl)methyl]-6-(trifluoromethyl)pyrazolo[4,3-b]pyridine-3-carboxylic acid?
The InChIKey is YCRHEJAUGWSXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClF4N3O2/c16-10-4-9(17)2-1-7(10)6-23-11-3-8(15(18,19)20)5-21-12(11)13(22-23)14(24)25/h1-5H,6H2,(H,24,25).
What are the key properties of 1-[(2-chloro-4-fluorophenyl)methyl]-6-(trifluoromethyl)pyrazolo[4,3-b]pyridine-3-carboxylic acid?
1-[(2-chloro-4-fluorophenyl)methyl]-6-(trifluoromethyl)pyrazolo[4,3-b]pyridine-3-carboxylic acid has a molecular weight of 373.69 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-4-fluorophenyl)methyl]-6-(trifluoromethyl)pyrazolo[4,3-b]pyridine-3-carboxylic acid is sourced from PubChem (CID 69403054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).