methyl 3-[(4-bromo-2-chlorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate

C16H13BrClN3O2 — CID 22387749

IUPACmethyl 3-[(4-bromo-2-chlorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate
SMILESCOC(=O)c1ccc2nc(C)n(Cc3ccc(Br)cc3Cl)c2n1
InChIInChI=1S/C16H13BrClN3O2/c1-9-19-13-5-6-14(16(22)23-2)20-15(13)21(9)8-10-3-4-11(17)7-12(10)18/h3-7H,8H2,1-2H3
InChIKeyIISKSCJYGZECDK-UHFFFAOYSA-N
MW394.66 g/mol
LogP3.99
Rot. Bonds3

About methyl 3-[(4-bromo-2-chlorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate

methyl 3-[(4-bromo-2-chlorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate (PubChem CID 22387749) has the molecular formula C16H13BrClN3O2 and a molecular weight of 394.66 g/mol. Its IUPAC name is methyl 3-[(4-bromo-2-chlorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(4-bromo-2-chlorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate
PubChem CID22387749
Molecular FormulaC16H13BrClN3O2
Molecular Weight394.66 g/mol
Exact Mass392.99
IUPAC Namemethyl 3-[(4-bromo-2-chlorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate
SMILESCOC(=O)c1ccc2nc(C)n(Cc3ccc(Br)cc3Cl)c2n1
InChIInChI=1S/C16H13BrClN3O2/c1-9-19-13-5-6-14(16(22)23-2)20-15(13)21(9)8-10-3-4-11(17)7-12(10)18/h3-7H,8H2,1-2H3
InChIKeyIISKSCJYGZECDK-UHFFFAOYSA-N
XLogP3.99
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.66
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 3-[(4-bromo-2-chlorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate 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

methyl 3-[[2-chloro-4-(2-phenylethyl)phenyl]methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate
CID 22388085
N-(benzenesulfonyl)-3-[(4-bromo-2-chlorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxamide
CID 22388532
methyl 3-[(3,5-dichloro-2-pyridinyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate
CID 22485014
3-[(4-acetamido-2-chlorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylic acid
CID 22387854
3-[(4-bromo-2-chlorophenyl)methyl]-2,7-dimethylimidazo[4,5-b]pyridine-5-carboxylic acid
CID 22387900
3-[(4-butoxy-2-chlorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylic acid
CID 22388248
methyl 3-[3-[(4-bromo-2-chlorophenyl)methyl]-5-chloro-2-methylimidazol-4-yl]prop-2-enoate
CID 90753546
3-[[2-chloro-4-[(E)-2-phenylethenyl]phenyl]methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylic acid
CID 22387747
3-[[4-(butylamino)-2-chlorophenyl]methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylic acid
CID 22388233
3-[(4-chloro-2-methylphenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylic acid
CID 22388375
methyl 3-[(2-chloro-4-ethoxyphenyl)methyl]-2,7-dimethylimidazo[4,5-b]pyridine-5-carboxylate
CID 22388000
cyclohexyl 4-[(5-bromo-2-methylimidazo[4,5-b]pyridin-3-yl)methyl]-3-chlorobenzoate
CID 22388033

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-bromo-2-chlorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate?
The IUPAC name of methyl 3-[(4-bromo-2-chlorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate (CID 22387749) is methyl 3-[(4-bromo-2-chlorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate.
What is the SMILES notation for methyl 3-[(4-bromo-2-chlorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate?
The canonical SMILES for methyl 3-[(4-bromo-2-chlorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate is COC(=O)c1ccc2nc(C)n(Cc3ccc(Br)cc3Cl)c2n1.
What is the InChIKey of methyl 3-[(4-bromo-2-chlorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate?
The InChIKey is IISKSCJYGZECDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrClN3O2/c1-9-19-13-5-6-14(16(22)23-2)20-15(13)21(9)8-10-3-4-11(17)7-12(10)18/h3-7H,8H2,1-2H3.
What are the key properties of methyl 3-[(4-bromo-2-chlorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate?
methyl 3-[(4-bromo-2-chlorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate has a molecular weight of 394.66 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-bromo-2-chlorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate is sourced from PubChem (CID 22387749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).