methyl 3-[[2-chloro-4-(2-phenylethyl)phenyl]methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate

C24H22ClN3O2 — CID 22388085

IUPACmethyl 3-[[2-chloro-4-(2-phenylethyl)phenyl]methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate
SMILESCOC(=O)c1ccc2nc(C)n(Cc3ccc(CCc4ccccc4)cc3Cl)c2n1
InChIInChI=1S/C24H22ClN3O2/c1-16-26-21-12-13-22(24(29)30-2)27-23(21)28(16)15-19-11-10-18(14-20(19)25)9-8-17-6-4-3-5-7-17/h3-7,10-14H,8-9,15H2,1-2H3
InChIKeyLEHUAWCDBUXCPM-UHFFFAOYSA-N
MW419.91 g/mol
LogP5.01
Rot. Bonds6

About methyl 3-[[2-chloro-4-(2-phenylethyl)phenyl]methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate

methyl 3-[[2-chloro-4-(2-phenylethyl)phenyl]methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate (PubChem CID 22388085) has the molecular formula C24H22ClN3O2 and a molecular weight of 419.91 g/mol. Its IUPAC name is methyl 3-[[2-chloro-4-(2-phenylethyl)phenyl]methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[2-chloro-4-(2-phenylethyl)phenyl]methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate
PubChem CID22388085
Molecular FormulaC24H22ClN3O2
Molecular Weight419.91 g/mol
Exact Mass419.14
IUPAC Namemethyl 3-[[2-chloro-4-(2-phenylethyl)phenyl]methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate
SMILESCOC(=O)c1ccc2nc(C)n(Cc3ccc(CCc4ccccc4)cc3Cl)c2n1
InChIInChI=1S/C24H22ClN3O2/c1-16-26-21-12-13-22(24(29)30-2)27-23(21)28(16)15-19-11-10-18(14-20(19)25)9-8-17-6-4-3-5-7-17/h3-7,10-14H,8-9,15H2,1-2H3
InChIKeyLEHUAWCDBUXCPM-UHFFFAOYSA-N
XLogP5.01
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.91
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 3-[[2-chloro-4-(2-phenylethyl)phenyl]methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate with MolForge

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Related Compounds

methyl 3-[(4-bromo-2-chlorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate
CID 22387749
3-[(4-benzylsulfanyl-2-chlorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylic acid
CID 22388341
3-[[2-chloro-4-[(E)-2-phenylethenyl]phenyl]methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylic acid
CID 22387747
N-(5-bromothiophen-2-yl)sulfonyl-3-[[2-chloro-4-(phenoxymethyl)phenyl]methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxamide
CID 22388539
3-[(4-acetamido-2-chlorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylic acid
CID 22387854
methyl 3-[(3,5-dichloro-2-pyridinyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate
CID 22485014
methyl 3-[[2-chloro-4-(2-phenylethynyl)phenyl]methyl]-2,7-dimethylimidazo[4,5-b]pyridine-5-carboxylate
CID 22388324
N-(benzenesulfonyl)-3-[(4-bromo-2-chlorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxamide
CID 22388532
3-[(2-chloro-4-phenylmethoxyphenyl)methyl]-2-methyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide
CID 22388186
methyl 1-[(2-chloro-4-phenylmethoxyphenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate
CID 22387793
3-[(4-butoxy-2-chlorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylic acid
CID 22388248
3-[(2,4-dichlorophenyl)methyl]-2-methyl-N-[(E)-2-phenylethenyl]sulfonylimidazo[4,5-b]pyridine-5-carboxamide
CID 22388026

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-chloro-4-(2-phenylethyl)phenyl]methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate?
The IUPAC name of methyl 3-[[2-chloro-4-(2-phenylethyl)phenyl]methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate (CID 22388085) is methyl 3-[[2-chloro-4-(2-phenylethyl)phenyl]methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate.
What is the SMILES notation for methyl 3-[[2-chloro-4-(2-phenylethyl)phenyl]methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate?
The canonical SMILES for methyl 3-[[2-chloro-4-(2-phenylethyl)phenyl]methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate is COC(=O)c1ccc2nc(C)n(Cc3ccc(CCc4ccccc4)cc3Cl)c2n1.
What is the InChIKey of methyl 3-[[2-chloro-4-(2-phenylethyl)phenyl]methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate?
The InChIKey is LEHUAWCDBUXCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O2/c1-16-26-21-12-13-22(24(29)30-2)27-23(21)28(16)15-19-11-10-18(14-20(19)25)9-8-17-6-4-3-5-7-17/h3-7,10-14H,8-9,15H2,1-2H3.
What are the key properties of methyl 3-[[2-chloro-4-(2-phenylethyl)phenyl]methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate?
methyl 3-[[2-chloro-4-(2-phenylethyl)phenyl]methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate has a molecular weight of 419.91 g/mol, XLogP of 5.01, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-chloro-4-(2-phenylethyl)phenyl]methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate is sourced from PubChem (CID 22388085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).