N-[(3-fluorophenyl)methyl]-1-methyl-6-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide

C22H16F4N4O — CID 134802835

IUPACN-[(3-fluorophenyl)methyl]-1-methyl-6-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCn1ncc2c(C(=O)NCc3cccc(F)c3)cc(-c3ccc(C(F)(F)F)cc3)nc21
InChIInChI=1S/C22H16F4N4O/c1-30-20-18(12-28-30)17(21(31)27-11-13-3-2-4-16(23)9-13)10-19(29-20)14-5-7-15(8-6-14)22(24,25)26/h2-10,12H,11H2,1H3,(H,27,31)
InChIKeyRKESNEFHIHFRBQ-UHFFFAOYSA-N
MW428.39 g/mol
LogP4.72
Rot. Bonds4

About N-[(3-fluorophenyl)methyl]-1-methyl-6-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide

N-[(3-fluorophenyl)methyl]-1-methyl-6-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 134802835) has the molecular formula C22H16F4N4O and a molecular weight of 428.39 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-1-methyl-6-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-1-methyl-6-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID134802835
Molecular FormulaC22H16F4N4O
Molecular Weight428.39 g/mol
Exact Mass428.13
IUPAC NameN-[(3-fluorophenyl)methyl]-1-methyl-6-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCn1ncc2c(C(=O)NCc3cccc(F)c3)cc(-c3ccc(C(F)(F)F)cc3)nc21
InChIInChI=1S/C22H16F4N4O/c1-30-20-18(12-28-30)17(21(31)27-11-13-3-2-4-16(23)9-13)10-19(29-20)14-5-7-15(8-6-14)22(24,25)26/h2-10,12H,11H2,1H3,(H,27,31)
InChIKeyRKESNEFHIHFRBQ-UHFFFAOYSA-N
XLogP4.72
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.39
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3-fluorophenyl)methyl]-1-methyl-6-[4-(trifluoromethyl)phenyl]pyrazolo[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 N-[(3-fluorophenyl)methyl]-1-methyl-6-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-1-methyl-6-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide (CID 134802835) is N-[(3-fluorophenyl)methyl]-1-methyl-6-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-1-methyl-6-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-1-methyl-6-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide is Cn1ncc2c(C(=O)NCc3cccc(F)c3)cc(-c3ccc(C(F)(F)F)cc3)nc21.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-1-methyl-6-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is RKESNEFHIHFRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F4N4O/c1-30-20-18(12-28-30)17(21(31)27-11-13-3-2-4-16(23)9-13)10-19(29-20)14-5-7-15(8-6-14)22(24,25)26/h2-10,12H,11H2,1H3,(H,27,31).
What are the key properties of N-[(3-fluorophenyl)methyl]-1-methyl-6-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
N-[(3-fluorophenyl)methyl]-1-methyl-6-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 428.39 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-1-methyl-6-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 134802835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).