N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide

C19H21BrN4O2 — CID 46679540

IUPACN-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCOc1ccc(Br)cc1CN(C)C(=O)c1cnc2c(cnn2C(C)C)c1
InChIInChI=1S/C19H21BrN4O2/c1-12(2)24-18-13(10-22-24)7-14(9-21-18)19(25)23(3)11-15-8-16(20)5-6-17(15)26-4/h5-10,12H,11H2,1-4H3
InChIKeyJLFAGYNDYYFWTR-UHFFFAOYSA-N
MW417.31 g/mol
LogP4.06
Rot. Bonds5

About N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide

N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 46679540) has the molecular formula C19H21BrN4O2 and a molecular weight of 417.31 g/mol. Its IUPAC name is N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID46679540
Molecular FormulaC19H21BrN4O2
Molecular Weight417.31 g/mol
Exact Mass416.08
IUPAC NameN-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCOc1ccc(Br)cc1CN(C)C(=O)c1cnc2c(cnn2C(C)C)c1
InChIInChI=1S/C19H21BrN4O2/c1-12(2)24-18-13(10-22-24)7-14(9-21-18)19(25)23(3)11-15-8-16(20)5-6-17(15)26-4/h5-10,12H,11H2,1-4H3
InChIKeyJLFAGYNDYYFWTR-UHFFFAOYSA-N
XLogP4.06
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.31
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-1-propan-2-ylpyrazolo[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

Related Compounds

N-methyl-1-propan-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 51112770
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 43055211
N-[(5-bromo-2-methoxyphenyl)methyl]-5-chloro-N-methylpyrazine-2-carboxamide
CID 107236575
N-[(5-bromo-2-methoxyphenyl)methyl]-N,1-dimethyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 31152937
N-(4-bromo-2-chlorophenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 24586062
3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylbenzamide
CID 60938045
(2S)-2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpropanamide
CID 93367470
(2R)-2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpropanamide;hydrochloride
CID 119267692
N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 46679770
3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide
CID 104741521
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 18158188
2-(5-acetyl-2-methoxyphenyl)-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylacetamide
CID 31152699

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 46679540) is N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide is COc1ccc(Br)cc1CN(C)C(=O)c1cnc2c(cnn2C(C)C)c1.
What is the InChIKey of N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is JLFAGYNDYYFWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN4O2/c1-12(2)24-18-13(10-22-24)7-14(9-21-18)19(25)23(3)11-15-8-16(20)5-6-17(15)26-4/h5-10,12H,11H2,1-4H3.
What are the key properties of N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 417.31 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 46679540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).