4-chloro-3-ethyl-1-phenyl-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide

C22H16ClF3N4O — CID 135257934

IUPAC4-chloro-3-ethyl-1-phenyl-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCc1nn(-c2ccccc2)c2ncc(C(=O)Nc3ccc(C(F)(F)F)cc3)c(Cl)c12
InChIInChI=1S/C22H16ClF3N4O/c1-2-17-18-19(23)16(12-27-20(18)30(29-17)15-6-4-3-5-7-15)21(31)28-14-10-8-13(9-11-14)22(24,25)26/h3-12H,2H2,1H3,(H,28,31)
InChIKeyNALRHIUAOFGLLB-UHFFFAOYSA-N
MW444.84 g/mol
LogP5.91
Rot. Bonds4

About 4-chloro-3-ethyl-1-phenyl-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide

4-chloro-3-ethyl-1-phenyl-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 135257934) has the molecular formula C22H16ClF3N4O and a molecular weight of 444.84 g/mol. Its IUPAC name is 4-chloro-3-ethyl-1-phenyl-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-chloro-3-ethyl-1-phenyl-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID135257934
Molecular FormulaC22H16ClF3N4O
Molecular Weight444.84 g/mol
Exact Mass444.10
IUPAC Name4-chloro-3-ethyl-1-phenyl-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCc1nn(-c2ccccc2)c2ncc(C(=O)Nc3ccc(C(F)(F)F)cc3)c(Cl)c12
InChIInChI=1S/C22H16ClF3N4O/c1-2-17-18-19(23)16(12-27-20(18)30(29-17)15-6-4-3-5-7-15)21(31)28-14-10-8-13(9-11-14)22(24,25)26/h3-12H,2H2,1H3,(H,28,31)
InChIKeyNALRHIUAOFGLLB-UHFFFAOYSA-N
XLogP5.91
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.84
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-chloro-3-ethyl-1-phenyl-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-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 4-chloro-3-ethyl-1-phenyl-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 4-chloro-3-ethyl-1-phenyl-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide (CID 135257934) is 4-chloro-3-ethyl-1-phenyl-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-chloro-3-ethyl-1-phenyl-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 4-chloro-3-ethyl-1-phenyl-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide is CCc1nn(-c2ccccc2)c2ncc(C(=O)Nc3ccc(C(F)(F)F)cc3)c(Cl)c12.
What is the InChIKey of 4-chloro-3-ethyl-1-phenyl-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is NALRHIUAOFGLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClF3N4O/c1-2-17-18-19(23)16(12-27-20(18)30(29-17)15-6-4-3-5-7-15)21(31)28-14-10-8-13(9-11-14)22(24,25)26/h3-12H,2H2,1H3,(H,28,31).
What are the key properties of 4-chloro-3-ethyl-1-phenyl-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide?
4-chloro-3-ethyl-1-phenyl-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 444.84 g/mol, XLogP of 5.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-ethyl-1-phenyl-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 135257934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).