6-(4-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide

C22H18ClFN4O — CID 134792768

IUPAC6-(4-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCn1ncc2c(C(=O)NCCc3ccc(F)cc3)cc(-c3ccc(Cl)cc3)nc21
InChIInChI=1S/C22H18ClFN4O/c1-28-21-19(13-26-28)18(12-20(27-21)15-4-6-16(23)7-5-15)22(29)25-11-10-14-2-8-17(24)9-3-14/h2-9,12-13H,10-11H2,1H3,(H,25,29)
InChIKeyUFAQBJHEPYZBLA-UHFFFAOYSA-N
MW408.86 g/mol
LogP4.40
Rot. Bonds5

About 6-(4-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide

6-(4-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 134792768) has the molecular formula C22H18ClFN4O and a molecular weight of 408.86 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(4-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID134792768
Molecular FormulaC22H18ClFN4O
Molecular Weight408.86 g/mol
Exact Mass408.12
IUPAC Name6-(4-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCn1ncc2c(C(=O)NCCc3ccc(F)cc3)cc(-c3ccc(Cl)cc3)nc21
InChIInChI=1S/C22H18ClFN4O/c1-28-21-19(13-26-28)18(12-20(27-21)15-4-6-16(23)7-5-15)22(29)25-11-10-14-2-8-17(24)9-3-14/h2-9,12-13H,10-11H2,1H3,(H,25,29)
InChIKeyUFAQBJHEPYZBLA-UHFFFAOYSA-N
XLogP4.40
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.86
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(4-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide 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 6-(4-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-(4-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 134792768) is 6-(4-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-(4-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-(4-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide is Cn1ncc2c(C(=O)NCCc3ccc(F)cc3)cc(-c3ccc(Cl)cc3)nc21.
What is the InChIKey of 6-(4-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is UFAQBJHEPYZBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClFN4O/c1-28-21-19(13-26-28)18(12-20(27-21)15-4-6-16(23)7-5-15)22(29)25-11-10-14-2-8-17(24)9-3-14/h2-9,12-13H,10-11H2,1H3,(H,25,29).
What are the key properties of 6-(4-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
6-(4-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 408.86 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 134792768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).