methyl 3-[(2-chloro-4-ethoxyphenyl)methyl]-2,7-dimethylimidazo[4,5-b]pyridine-5-carboxylate

C19H20ClN3O3 — CID 22388000

IUPACmethyl 3-[(2-chloro-4-ethoxyphenyl)methyl]-2,7-dimethylimidazo[4,5-b]pyridine-5-carboxylate
SMILESCCOc1ccc(Cn2c(C)nc3c(C)cc(C(=O)OC)nc32)c(Cl)c1
InChIInChI=1S/C19H20ClN3O3/c1-5-26-14-7-6-13(15(20)9-14)10-23-12(3)21-17-11(2)8-16(19(24)25-4)22-18(17)23/h6-9H,5,10H2,1-4H3
InChIKeyHIDJXEJWAFYTIA-UHFFFAOYSA-N
MW373.84 g/mol
LogP3.94
Rot. Bonds5

About methyl 3-[(2-chloro-4-ethoxyphenyl)methyl]-2,7-dimethylimidazo[4,5-b]pyridine-5-carboxylate

methyl 3-[(2-chloro-4-ethoxyphenyl)methyl]-2,7-dimethylimidazo[4,5-b]pyridine-5-carboxylate (PubChem CID 22388000) has the molecular formula C19H20ClN3O3 and a molecular weight of 373.84 g/mol. Its IUPAC name is methyl 3-[(2-chloro-4-ethoxyphenyl)methyl]-2,7-dimethylimidazo[4,5-b]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(2-chloro-4-ethoxyphenyl)methyl]-2,7-dimethylimidazo[4,5-b]pyridine-5-carboxylate
PubChem CID22388000
Molecular FormulaC19H20ClN3O3
Molecular Weight373.84 g/mol
Exact Mass373.12
IUPAC Namemethyl 3-[(2-chloro-4-ethoxyphenyl)methyl]-2,7-dimethylimidazo[4,5-b]pyridine-5-carboxylate
SMILESCCOc1ccc(Cn2c(C)nc3c(C)cc(C(=O)OC)nc32)c(Cl)c1
InChIInChI=1S/C19H20ClN3O3/c1-5-26-14-7-6-13(15(20)9-14)10-23-12(3)21-17-11(2)8-16(19(24)25-4)22-18(17)23/h6-9H,5,10H2,1-4H3
InChIKeyHIDJXEJWAFYTIA-UHFFFAOYSA-N
XLogP3.94
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 3-[(2-chloro-4-ethoxyphenyl)methyl]-2,7-dimethylimidazo[4,5-b]pyridine-5-carboxylate with MolForge

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Related Compounds

methyl 3-[[2-chloro-4-(2-phenylethynyl)phenyl]methyl]-2,7-dimethylimidazo[4,5-b]pyridine-5-carboxylate
CID 22388324
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-[(4-bromo-2-chlorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate
CID 22387749
methyl 1-[(2-chloro-4-phenylmethoxyphenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate
CID 22387793
methyl 3-[[2-chloro-4-(2-phenylethyl)phenyl]methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate
CID 22388085
3-[(2-chloro-4-pentoxyphenyl)methyl]-2-methyl-N-(propylsulfamoyl)imidazo[4,5-b]pyridine-5-carboxamide
CID 22485077
3-[[2-chloro-4-(2-phenylethynyl)phenyl]methyl]-2,7-dimethyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide
CID 22485070
sodium;3-[(4-bromo-2-chlorophenyl)methyl]-2,7-dimethyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide;hydride
CID 173206807
methyl 1-[[2-chloro-4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate
CID 22388281
3-[[2-chloro-4-[methyl(propyl)amino]phenyl]methyl]-2,7-dimethyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide
CID 22485135
methyl 3-[3-[(2-chloro-4-pentoxyphenyl)methyl]-5-ethyl-2-methylimidazol-4-yl]prop-2-enoate
CID 91327949

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-chloro-4-ethoxyphenyl)methyl]-2,7-dimethylimidazo[4,5-b]pyridine-5-carboxylate?
The IUPAC name of methyl 3-[(2-chloro-4-ethoxyphenyl)methyl]-2,7-dimethylimidazo[4,5-b]pyridine-5-carboxylate (CID 22388000) is methyl 3-[(2-chloro-4-ethoxyphenyl)methyl]-2,7-dimethylimidazo[4,5-b]pyridine-5-carboxylate.
What is the SMILES notation for methyl 3-[(2-chloro-4-ethoxyphenyl)methyl]-2,7-dimethylimidazo[4,5-b]pyridine-5-carboxylate?
The canonical SMILES for methyl 3-[(2-chloro-4-ethoxyphenyl)methyl]-2,7-dimethylimidazo[4,5-b]pyridine-5-carboxylate is CCOc1ccc(Cn2c(C)nc3c(C)cc(C(=O)OC)nc32)c(Cl)c1.
What is the InChIKey of methyl 3-[(2-chloro-4-ethoxyphenyl)methyl]-2,7-dimethylimidazo[4,5-b]pyridine-5-carboxylate?
The InChIKey is HIDJXEJWAFYTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O3/c1-5-26-14-7-6-13(15(20)9-14)10-23-12(3)21-17-11(2)8-16(19(24)25-4)22-18(17)23/h6-9H,5,10H2,1-4H3.
What are the key properties of methyl 3-[(2-chloro-4-ethoxyphenyl)methyl]-2,7-dimethylimidazo[4,5-b]pyridine-5-carboxylate?
methyl 3-[(2-chloro-4-ethoxyphenyl)methyl]-2,7-dimethylimidazo[4,5-b]pyridine-5-carboxylate has a molecular weight of 373.84 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-chloro-4-ethoxyphenyl)methyl]-2,7-dimethylimidazo[4,5-b]pyridine-5-carboxylate is sourced from PubChem (CID 22388000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).