ethyl 2-[7-[(3-bromo-4-fluorophenyl)carbamoyl]-1H-imidazo[4,5-b]pyridin-2-yl]acetate

C17H14BrFN4O3 — CID 122686938

IUPACethyl 2-[7-[(3-bromo-4-fluorophenyl)carbamoyl]-1H-imidazo[4,5-b]pyridin-2-yl]acetate
SMILESCCOC(=O)Cc1nc2nccc(C(=O)Nc3ccc(F)c(Br)c3)c2[nH]1
InChIInChI=1S/C17H14BrFN4O3/c1-2-26-14(24)8-13-22-15-10(5-6-20-16(15)23-13)17(25)21-9-3-4-12(19)11(18)7-9/h3-7H,2,8H2,1H3,(H,21,25)(H,20,22,23)
InChIKeyUXVDTGJLUBVHET-UHFFFAOYSA-N
MW421.23 g/mol
LogP3.22
Rot. Bonds5

About ethyl 2-[7-[(3-bromo-4-fluorophenyl)carbamoyl]-1H-imidazo[4,5-b]pyridin-2-yl]acetate

ethyl 2-[7-[(3-bromo-4-fluorophenyl)carbamoyl]-1H-imidazo[4,5-b]pyridin-2-yl]acetate (PubChem CID 122686938) has the molecular formula C17H14BrFN4O3 and a molecular weight of 421.23 g/mol. Its IUPAC name is ethyl 2-[7-[(3-bromo-4-fluorophenyl)carbamoyl]-1H-imidazo[4,5-b]pyridin-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[7-[(3-bromo-4-fluorophenyl)carbamoyl]-1H-imidazo[4,5-b]pyridin-2-yl]acetate
PubChem CID122686938
Molecular FormulaC17H14BrFN4O3
Molecular Weight421.23 g/mol
Exact Mass420.02
IUPAC Nameethyl 2-[7-[(3-bromo-4-fluorophenyl)carbamoyl]-1H-imidazo[4,5-b]pyridin-2-yl]acetate
SMILESCCOC(=O)Cc1nc2nccc(C(=O)Nc3ccc(F)c(Br)c3)c2[nH]1
InChIInChI=1S/C17H14BrFN4O3/c1-2-26-14(24)8-13-22-15-10(5-6-20-16(15)23-13)17(25)21-9-3-4-12(19)11(18)7-9/h3-7H,2,8H2,1H3,(H,21,25)(H,20,22,23)
InChIKeyUXVDTGJLUBVHET-UHFFFAOYSA-N
XLogP3.22
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.23
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[7-[(3-bromo-4-fluorophenyl)carbamoyl]-1H-imidazo[4,5-b]pyridin-2-yl]acetate with MolForge

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Related Compounds

N-(3-bromo-4-fluorophenyl)-2-[2-(dimethylamino)ethyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide
CID 122687554
N-(3-chloro-4-fluorophenyl)-2-(2-hydroxyethyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide
CID 122686977
2-amino-N-(3-bromo-4-fluorophenyl)-3-fluoropyridine-4-carboxamide
CID 105387341
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-chloro-4-fluorophenyl)-2-cyclopropyl-1H-imidazo[4,5-b]pyridine-7-carboxamide
CID 122686921
ethyl 2-[(3-bromo-4-fluorophenyl)sulfamoyl]acetate
CID 113452283
N-(3-bromo-4-fluorophenyl)-2-(ethylamino)benzamide
CID 104779865
N-(3-bromo-4-fluorophenyl)-4-chloro-2-methylbenzamide
CID 114027991
2-[(2,4-difluorophenyl)methyl]-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 115938333
N-(3-bromo-4-fluorophenyl)-2-hydrazinylbenzamide
CID 113452479
2-amino-N-(4-bromo-3-methylphenyl)-3-fluoropyridine-4-carboxamide
CID 105384093

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[7-[(3-bromo-4-fluorophenyl)carbamoyl]-1H-imidazo[4,5-b]pyridin-2-yl]acetate?
The IUPAC name of ethyl 2-[7-[(3-bromo-4-fluorophenyl)carbamoyl]-1H-imidazo[4,5-b]pyridin-2-yl]acetate (CID 122686938) is ethyl 2-[7-[(3-bromo-4-fluorophenyl)carbamoyl]-1H-imidazo[4,5-b]pyridin-2-yl]acetate.
What is the SMILES notation for ethyl 2-[7-[(3-bromo-4-fluorophenyl)carbamoyl]-1H-imidazo[4,5-b]pyridin-2-yl]acetate?
The canonical SMILES for ethyl 2-[7-[(3-bromo-4-fluorophenyl)carbamoyl]-1H-imidazo[4,5-b]pyridin-2-yl]acetate is CCOC(=O)Cc1nc2nccc(C(=O)Nc3ccc(F)c(Br)c3)c2[nH]1.
What is the InChIKey of ethyl 2-[7-[(3-bromo-4-fluorophenyl)carbamoyl]-1H-imidazo[4,5-b]pyridin-2-yl]acetate?
The InChIKey is UXVDTGJLUBVHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrFN4O3/c1-2-26-14(24)8-13-22-15-10(5-6-20-16(15)23-13)17(25)21-9-3-4-12(19)11(18)7-9/h3-7H,2,8H2,1H3,(H,21,25)(H,20,22,23).
What are the key properties of ethyl 2-[7-[(3-bromo-4-fluorophenyl)carbamoyl]-1H-imidazo[4,5-b]pyridin-2-yl]acetate?
ethyl 2-[7-[(3-bromo-4-fluorophenyl)carbamoyl]-1H-imidazo[4,5-b]pyridin-2-yl]acetate has a molecular weight of 421.23 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[7-[(3-bromo-4-fluorophenyl)carbamoyl]-1H-imidazo[4,5-b]pyridin-2-yl]acetate is sourced from PubChem (CID 122686938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).