2-(4-bromo-2-fluorophenyl)-7-cyclopropyl-1-methylimidazo[4,5-b]pyridine-5-carboxylic acid

C17H13BrFN3O2 — CID 155325582

IUPAC2-(4-bromo-2-fluorophenyl)-7-cyclopropyl-1-methylimidazo[4,5-b]pyridine-5-carboxylic acid
SMILESCn1c(-c2ccc(Br)cc2F)nc2nc(C(=O)O)cc(C3CC3)c21
InChIInChI=1S/C17H13BrFN3O2/c1-22-14-11(8-2-3-8)7-13(17(23)24)20-15(14)21-16(22)10-5-4-9(18)6-12(10)19/h4-8H,2-3H2,1H3,(H,23,24)
InChIKeyBZXZNNUXHUELOR-UHFFFAOYSA-N
MW390.21 g/mol
LogP4.11
Rot. Bonds3

About 2-(4-bromo-2-fluorophenyl)-7-cyclopropyl-1-methylimidazo[4,5-b]pyridine-5-carboxylic acid

2-(4-bromo-2-fluorophenyl)-7-cyclopropyl-1-methylimidazo[4,5-b]pyridine-5-carboxylic acid (PubChem CID 155325582) has the molecular formula C17H13BrFN3O2 and a molecular weight of 390.21 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)-7-cyclopropyl-1-methylimidazo[4,5-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)-7-cyclopropyl-1-methylimidazo[4,5-b]pyridine-5-carboxylic acid
PubChem CID155325582
Molecular FormulaC17H13BrFN3O2
Molecular Weight390.21 g/mol
Exact Mass389.02
IUPAC Name2-(4-bromo-2-fluorophenyl)-7-cyclopropyl-1-methylimidazo[4,5-b]pyridine-5-carboxylic acid
SMILESCn1c(-c2ccc(Br)cc2F)nc2nc(C(=O)O)cc(C3CC3)c21
InChIInChI=1S/C17H13BrFN3O2/c1-22-14-11(8-2-3-8)7-13(17(23)24)20-15(14)21-16(22)10-5-4-9(18)6-12(10)19/h4-8H,2-3H2,1H3,(H,23,24)
InChIKeyBZXZNNUXHUELOR-UHFFFAOYSA-N
XLogP4.11
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.21
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3,5-bis(4-bromo-2-fluorophenyl)-1,2,4-triazol-4-yl]piperidine-1-carboxylic acid
CID 174166725
4-[3,5-bis(4-bromo-2-fluorophenyl)-1,2,4-triazol-4-yl]-1-methylpiperidine
CID 170665494
[2-(4-bromo-2-fluorophenyl)-1-methylbenzimidazol-4-yl]methanamine
CID 104721523
[2-(4-bromo-2-fluorophenyl)-1-methylbenzimidazol-5-yl]methanamine
CID 65037738
2-(4-bromo-2-fluorophenyl)imidazo[1,2-a]pyridine-5-carboxylic acid
CID 82973858
4-(4-bromo-2-fluorophenyl)benzoic acid
CID 54325449
5-bromo-3-cyclopropyl-7-fluoro-1-benzofuran-2-carboxylic acid
CID 62379026
2-(4-bromo-2-fluorophenyl)-1-methyl-4-(trifluoromethyl)imidazole
CID 168800104
tert-butyl 2-(4-bromo-2-fluorophenyl)pyrrolidine-1-carboxylate
CID 53419955
4-[5-(4-bromo-2-fluorophenyl)tetrazol-1-yl]butanoic acid
CID 66045097
2-[4-bromo-2-(trifluoromethyl)phenyl]-6-methylpyrimidine-4-carboxylic acid
CID 62746772
4-bromo-1-cyclobutyl-2-fluorobenzene
CID 130893148

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)-7-cyclopropyl-1-methylimidazo[4,5-b]pyridine-5-carboxylic acid?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)-7-cyclopropyl-1-methylimidazo[4,5-b]pyridine-5-carboxylic acid (CID 155325582) is 2-(4-bromo-2-fluorophenyl)-7-cyclopropyl-1-methylimidazo[4,5-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)-7-cyclopropyl-1-methylimidazo[4,5-b]pyridine-5-carboxylic acid?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)-7-cyclopropyl-1-methylimidazo[4,5-b]pyridine-5-carboxylic acid is Cn1c(-c2ccc(Br)cc2F)nc2nc(C(=O)O)cc(C3CC3)c21.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)-7-cyclopropyl-1-methylimidazo[4,5-b]pyridine-5-carboxylic acid?
The InChIKey is BZXZNNUXHUELOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrFN3O2/c1-22-14-11(8-2-3-8)7-13(17(23)24)20-15(14)21-16(22)10-5-4-9(18)6-12(10)19/h4-8H,2-3H2,1H3,(H,23,24).
What are the key properties of 2-(4-bromo-2-fluorophenyl)-7-cyclopropyl-1-methylimidazo[4,5-b]pyridine-5-carboxylic acid?
2-(4-bromo-2-fluorophenyl)-7-cyclopropyl-1-methylimidazo[4,5-b]pyridine-5-carboxylic acid has a molecular weight of 390.21 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenyl)-7-cyclopropyl-1-methylimidazo[4,5-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 155325582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).