methyl 1-[(2-chloro-4-phenylmethoxyphenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate

C23H20ClN3O3 — CID 22387793

IUPACmethyl 1-[(2-chloro-4-phenylmethoxyphenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate
SMILESCOC(=O)c1ccc2c(n1)nc(C)n2Cc1ccc(OCc2ccccc2)cc1Cl
InChIInChI=1S/C23H20ClN3O3/c1-15-25-22-21(11-10-20(26-22)23(28)29-2)27(15)13-17-8-9-18(12-19(17)24)30-14-16-6-4-3-5-7-16/h3-12H,13-14H2,1-2H3
InChIKeyOZJFWSBHYYZAKN-UHFFFAOYSA-N
MW421.88 g/mol
LogP4.81
Rot. Bonds6

About methyl 1-[(2-chloro-4-phenylmethoxyphenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate

methyl 1-[(2-chloro-4-phenylmethoxyphenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate (PubChem CID 22387793) has the molecular formula C23H20ClN3O3 and a molecular weight of 421.88 g/mol. Its IUPAC name is methyl 1-[(2-chloro-4-phenylmethoxyphenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(2-chloro-4-phenylmethoxyphenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate
PubChem CID22387793
Molecular FormulaC23H20ClN3O3
Molecular Weight421.88 g/mol
Exact Mass421.12
IUPAC Namemethyl 1-[(2-chloro-4-phenylmethoxyphenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate
SMILESCOC(=O)c1ccc2c(n1)nc(C)n2Cc1ccc(OCc2ccccc2)cc1Cl
InChIInChI=1S/C23H20ClN3O3/c1-15-25-22-21(11-10-20(26-22)23(28)29-2)27(15)13-17-8-9-18(12-19(17)24)30-14-16-6-4-3-5-7-16/h3-12H,13-14H2,1-2H3
InChIKeyOZJFWSBHYYZAKN-UHFFFAOYSA-N
XLogP4.81
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.88
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 1-[(2-chloro-4-phenylmethoxyphenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate with MolForge

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Related Compounds

methyl 1-[[2-chloro-4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate
CID 22388281
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
1-[(2-chloro-4-phenylmethoxyphenyl)methyl]-2,5-dimethylimidazole
CID 57138416
methyl 3-[[2-chloro-4-(2-phenylethyl)phenyl]methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate
CID 22388085
3-[(2-chloro-4-phenylmethoxyphenyl)methyl]-2-methyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide
CID 22388186
(2-chloro-4-phenylmethoxyphenyl)methylcarbamic acid
CID 90281986
3-[(2-chloro-4-phenylmethoxyphenyl)methyl]-2-methyl-N-[(E)-2-phenylethenyl]sulfonylbenzimidazole-5-carboxamide
CID 22508672
methyl 3-[(2-chloro-4-ethoxyphenyl)methyl]-2,7-dimethylimidazo[4,5-b]pyridine-5-carboxylate
CID 22388000
2-(2-chloro-4-phenylmethoxyphenyl)acetic acid
CID 4241746
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-phenylmethoxyphenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate?
The IUPAC name of methyl 1-[(2-chloro-4-phenylmethoxyphenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate (CID 22387793) is methyl 1-[(2-chloro-4-phenylmethoxyphenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate.
What is the SMILES notation for methyl 1-[(2-chloro-4-phenylmethoxyphenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate?
The canonical SMILES for methyl 1-[(2-chloro-4-phenylmethoxyphenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate is COC(=O)c1ccc2c(n1)nc(C)n2Cc1ccc(OCc2ccccc2)cc1Cl.
What is the InChIKey of methyl 1-[(2-chloro-4-phenylmethoxyphenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate?
The InChIKey is OZJFWSBHYYZAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O3/c1-15-25-22-21(11-10-20(26-22)23(28)29-2)27(15)13-17-8-9-18(12-19(17)24)30-14-16-6-4-3-5-7-16/h3-12H,13-14H2,1-2H3.
What are the key properties of methyl 1-[(2-chloro-4-phenylmethoxyphenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate?
methyl 1-[(2-chloro-4-phenylmethoxyphenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate has a molecular weight of 421.88 g/mol, XLogP of 4.81, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(2-chloro-4-phenylmethoxyphenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate is sourced from PubChem (CID 22387793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).