N-(3-bromo-4-fluorophenyl)-2-[2-(dimethylamino)ethyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide

C17H17BrFN5O — CID 122687554

IUPACN-(3-bromo-4-fluorophenyl)-2-[2-(dimethylamino)ethyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide
SMILESCN(C)CCc1nc2nccc(C(=O)Nc3ccc(F)c(Br)c3)c2[nH]1
InChIInChI=1S/C17H17BrFN5O/c1-24(2)8-6-14-22-15-11(5-7-20-16(15)23-14)17(25)21-10-3-4-13(19)12(18)9-10/h3-5,7,9H,6,8H2,1-2H3,(H,21,25)(H,20,22,23)
InChIKeyFUXLWBTYURBGAD-UHFFFAOYSA-N
MW406.26 g/mol
LogP3.22
Rot. Bonds5

About N-(3-bromo-4-fluorophenyl)-2-[2-(dimethylamino)ethyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide

N-(3-bromo-4-fluorophenyl)-2-[2-(dimethylamino)ethyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide (PubChem CID 122687554) has the molecular formula C17H17BrFN5O and a molecular weight of 406.26 g/mol. Its IUPAC name is N-(3-bromo-4-fluorophenyl)-2-[2-(dimethylamino)ethyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-4-fluorophenyl)-2-[2-(dimethylamino)ethyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide
PubChem CID122687554
Molecular FormulaC17H17BrFN5O
Molecular Weight406.26 g/mol
Exact Mass405.06
IUPAC NameN-(3-bromo-4-fluorophenyl)-2-[2-(dimethylamino)ethyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide
SMILESCN(C)CCc1nc2nccc(C(=O)Nc3ccc(F)c(Br)c3)c2[nH]1
InChIInChI=1S/C17H17BrFN5O/c1-24(2)8-6-14-22-15-11(5-7-20-16(15)23-14)17(25)21-10-3-4-13(19)12(18)9-10/h3-5,7,9H,6,8H2,1-2H3,(H,21,25)(H,20,22,23)
InChIKeyFUXLWBTYURBGAD-UHFFFAOYSA-N
XLogP3.22
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.26
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[7-[(3-bromo-4-fluorophenyl)carbamoyl]-1H-imidazo[4,5-b]pyridin-2-yl]acetate
CID 122686938
N-(3-chloro-4-fluorophenyl)-2-(2-hydroxyethyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide
CID 122686977
N-(3-bromo-4-fluorophenyl)-2-[2-(dimethylamino)ethylamino]-6,7-difluoro-3H-benzimidazole-4-carboxamide
CID 122686699
2-amino-N-(3-bromo-4-fluorophenyl)-3-fluoropyridine-4-carboxamide
CID 105387341
N-(3-bromo-4-fluorophenyl)-2-[2-(dimethylamino)ethyl]-6,7-difluoro-N-hydroxy-3H-benzimidazole-4-carboximidamide
CID 122704298
N-(3-chloro-4-fluorophenyl)-2-cyclopropyl-1H-imidazo[4,5-b]pyridine-7-carboxamide
CID 122686921
N-(3-bromo-4-fluorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 71993657
N-(3-bromo-4-fluorophenyl)-3-(propylamino)pyridine-4-carboxamide
CID 105071177
N-(3-bromo-4-fluorophenyl)-5-chloro-2-(methylamino)pyridine-4-carboxamide
CID 114924481
N'-(3-chloro-4-fluorophenyl)-2-[2-(diethylamino)ethyl]-N-hydroxy-1H-imidazo[4,5-b]pyridine-7-carboximidamide
CID 137097610
2-[2-(dimethylamino)ethyl]-6,7-difluoro-3H-benzimidazole-4-carboxamide
CID 122704524
N-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide
CID 122687083

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-fluorophenyl)-2-[2-(dimethylamino)ethyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide?
The IUPAC name of N-(3-bromo-4-fluorophenyl)-2-[2-(dimethylamino)ethyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide (CID 122687554) is N-(3-bromo-4-fluorophenyl)-2-[2-(dimethylamino)ethyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide.
What is the SMILES notation for N-(3-bromo-4-fluorophenyl)-2-[2-(dimethylamino)ethyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide?
The canonical SMILES for N-(3-bromo-4-fluorophenyl)-2-[2-(dimethylamino)ethyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide is CN(C)CCc1nc2nccc(C(=O)Nc3ccc(F)c(Br)c3)c2[nH]1.
What is the InChIKey of N-(3-bromo-4-fluorophenyl)-2-[2-(dimethylamino)ethyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide?
The InChIKey is FUXLWBTYURBGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFN5O/c1-24(2)8-6-14-22-15-11(5-7-20-16(15)23-14)17(25)21-10-3-4-13(19)12(18)9-10/h3-5,7,9H,6,8H2,1-2H3,(H,21,25)(H,20,22,23).
What are the key properties of N-(3-bromo-4-fluorophenyl)-2-[2-(dimethylamino)ethyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide?
N-(3-bromo-4-fluorophenyl)-2-[2-(dimethylamino)ethyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide has a molecular weight of 406.26 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-fluorophenyl)-2-[2-(dimethylamino)ethyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide is sourced from PubChem (CID 122687554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).