N-benzyl-3-(4-bromophenyl)-6-(3,4-dimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide

C28H23BrN4O3 — CID 46364893

IUPACN-benzyl-3-(4-bromophenyl)-6-(3,4-dimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCc3ccccc3)c3c(-c4ccc(Br)cc4)[nH]nc3n2)cc1OC
InChIInChI=1S/C28H23BrN4O3/c1-35-23-13-10-19(14-24(23)36-2)22-15-21(28(34)30-16-17-6-4-3-5-7-17)25-26(32-33-27(25)31-22)18-8-11-20(29)12-9-18/h3-15H,16H2,1-2H3,(H,30,34)(H,31,32,33)
InChIKeyBFLBTTBSXCHPTB-UHFFFAOYSA-N
MW543.42 g/mol
LogP6.00
Rot. Bonds7

About N-benzyl-3-(4-bromophenyl)-6-(3,4-dimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide

N-benzyl-3-(4-bromophenyl)-6-(3,4-dimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 46364893) has the molecular formula C28H23BrN4O3 and a molecular weight of 543.42 g/mol. Its IUPAC name is N-benzyl-3-(4-bromophenyl)-6-(3,4-dimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-(4-bromophenyl)-6-(3,4-dimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID46364893
Molecular FormulaC28H23BrN4O3
Molecular Weight543.42 g/mol
Exact Mass542.10
IUPAC NameN-benzyl-3-(4-bromophenyl)-6-(3,4-dimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCc3ccccc3)c3c(-c4ccc(Br)cc4)[nH]nc3n2)cc1OC
InChIInChI=1S/C28H23BrN4O3/c1-35-23-13-10-19(14-24(23)36-2)22-15-21(28(34)30-16-17-6-4-3-5-7-17)25-26(32-33-27(25)31-22)18-8-11-20(29)12-9-18/h3-15H,16H2,1-2H3,(H,30,34)(H,31,32,33)
InChIKeyBFLBTTBSXCHPTB-UHFFFAOYSA-N
XLogP6.00
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.42
LogP ≤ 56.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-benzyl-3-(4-bromophenyl)-6-(3,4-dimethoxyphenyl)-2H-pyrazolo[3,4-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

Related Compounds

6-(3,4-dimethoxyphenyl)-3-phenyl-N-(2-phenylethyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 15988341
3-(4-bromophenyl)-6-(2-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 46364900
3-(4-ethylphenyl)-6-(2-methoxyphenyl)-N-[(4-methylphenyl)methyl]-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 46364779
N-butyl-6-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 46364827
3-(4-bromophenyl)-N-butyl-6-(2,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 46364889
6-(3,4-dimethoxyphenyl)-N-(2,4-dimethylphenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 22426194
6-(4-chlorophenyl)-3-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 46364939
3-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-6-(4-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 46364958
4-(3,4-dimethoxyphenyl)-3-phenyl-N-(2-phenylethyl)-2H-pyrazolo[3,4-b]pyridine-6-carboxamide
CID 6625236
N-(3-methoxypropyl)-3-phenyl-6-(2,3,4-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 22426212
N-benzyl-6-(3,4-dimethoxyphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 25096901
3-phenyl-6-(2,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 22548774

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(4-bromophenyl)-6-(3,4-dimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of N-benzyl-3-(4-bromophenyl)-6-(3,4-dimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide (CID 46364893) is N-benzyl-3-(4-bromophenyl)-6-(3,4-dimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-benzyl-3-(4-bromophenyl)-6-(3,4-dimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-benzyl-3-(4-bromophenyl)-6-(3,4-dimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide is COc1ccc(-c2cc(C(=O)NCc3ccccc3)c3c(-c4ccc(Br)cc4)[nH]nc3n2)cc1OC.
What is the InChIKey of N-benzyl-3-(4-bromophenyl)-6-(3,4-dimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is BFLBTTBSXCHPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23BrN4O3/c1-35-23-13-10-19(14-24(23)36-2)22-15-21(28(34)30-16-17-6-4-3-5-7-17)25-26(32-33-27(25)31-22)18-8-11-20(29)12-9-18/h3-15H,16H2,1-2H3,(H,30,34)(H,31,32,33).
What are the key properties of N-benzyl-3-(4-bromophenyl)-6-(3,4-dimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
N-benzyl-3-(4-bromophenyl)-6-(3,4-dimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 543.42 g/mol, XLogP of 6.00, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(4-bromophenyl)-6-(3,4-dimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 46364893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).