methyl 1-[[2-chloro-4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate

C24H24ClN5O3 — CID 22388281

IUPACmethyl 1-[[2-chloro-4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate
SMILESCOC(=O)c1ccc2c(n1)nc(C)n2Cc1ccc(OCCN(C)c2ccccn2)cc1Cl
InChIInChI=1S/C24H24ClN5O3/c1-16-27-23-21(10-9-20(28-23)24(31)32-3)30(16)15-17-7-8-18(14-19(17)25)33-13-12-29(2)22-6-4-5-11-26-22/h4-11,14H,12-13,15H2,1-3H3
InChIKeyAAANYGWWMURXCH-UHFFFAOYSA-N
MW465.94 g/mol
LogP4.14
Rot. Bonds8

About methyl 1-[[2-chloro-4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate

methyl 1-[[2-chloro-4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate (PubChem CID 22388281) has the molecular formula C24H24ClN5O3 and a molecular weight of 465.94 g/mol. Its IUPAC name is methyl 1-[[2-chloro-4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[2-chloro-4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate
PubChem CID22388281
Molecular FormulaC24H24ClN5O3
Molecular Weight465.94 g/mol
Exact Mass465.16
IUPAC Namemethyl 1-[[2-chloro-4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate
SMILESCOC(=O)c1ccc2c(n1)nc(C)n2Cc1ccc(OCCN(C)c2ccccn2)cc1Cl
InChIInChI=1S/C24H24ClN5O3/c1-16-27-23-21(10-9-20(28-23)24(31)32-3)30(16)15-17-7-8-18(14-19(17)25)33-13-12-29(2)22-6-4-5-11-26-22/h4-11,14H,12-13,15H2,1-3H3
InChIKeyAAANYGWWMURXCH-UHFFFAOYSA-N
XLogP4.14
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.94
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 1-[[2-chloro-4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate with MolForge

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Related Compounds

methyl 1-[(2-chloro-4-phenylmethoxyphenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate
CID 22387793
N-(benzenesulfonyl)-1-[[2-chloro-4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-2-methylimidazole-4-carboxamide
CID 57112139
methyl 2-methyl-1-[(2,3,4-trichlorophenyl)methyl]imidazo[4,5-b]pyridine-5-carboxylate
CID 22388013
methyl 1-[(2-chloro-4-thiophen-2-ylphenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate
CID 22388065
methyl 1-[(2,5-dichlorothiophen-3-yl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate
CID 22388041
methyl 3-[(2-chloro-4-ethoxyphenyl)methyl]-2,7-dimethylimidazo[4,5-b]pyridine-5-carboxylate
CID 22388000
methyl 3-[[2-chloro-4-(2-phenylethynyl)phenyl]methyl]-2,7-dimethylimidazo[4,5-b]pyridine-5-carboxylate
CID 22388324
methyl 3-[[2-chloro-4-(2-phenylethyl)phenyl]methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate
CID 22388085
methyl 3-[(4-bromo-2-chlorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate
CID 22387749
3-[(4-butoxy-2-chlorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylic acid
CID 22388248
methyl 2-methoxy-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoate
CID 18794800
1-[(2,4-dichlorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine-6-carboxylic acid
CID 22387929

Frequently Asked Questions

What is the IUPAC name of methyl 1-[[2-chloro-4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate?
The IUPAC name of methyl 1-[[2-chloro-4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate (CID 22388281) is methyl 1-[[2-chloro-4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate.
What is the SMILES notation for methyl 1-[[2-chloro-4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate?
The canonical SMILES for methyl 1-[[2-chloro-4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate is COC(=O)c1ccc2c(n1)nc(C)n2Cc1ccc(OCCN(C)c2ccccn2)cc1Cl.
What is the InChIKey of methyl 1-[[2-chloro-4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate?
The InChIKey is AAANYGWWMURXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN5O3/c1-16-27-23-21(10-9-20(28-23)24(31)32-3)30(16)15-17-7-8-18(14-19(17)25)33-13-12-29(2)22-6-4-5-11-26-22/h4-11,14H,12-13,15H2,1-3H3.
What are the key properties of methyl 1-[[2-chloro-4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate?
methyl 1-[[2-chloro-4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate has a molecular weight of 465.94 g/mol, XLogP of 4.14, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[2-chloro-4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate is sourced from PubChem (CID 22388281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).