benzyl 2-[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]oxyacetate

C23H21N3O3 — CID 134170279

IUPACbenzyl 2-[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]oxyacetate
SMILESCc1ccc(Cn2c(OCC(=O)OCc3ccccc3)nc3cccnc32)cc1
InChIInChI=1S/C23H21N3O3/c1-17-9-11-18(12-10-17)14-26-22-20(8-5-13-24-22)25-23(26)29-16-21(27)28-15-19-6-3-2-4-7-19/h2-13H,14-16H2,1H3
InChIKeyAZTIQJFLAUSLCM-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.91
Rot. Bonds7

About benzyl 2-[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]oxyacetate

benzyl 2-[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]oxyacetate (PubChem CID 134170279) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is benzyl 2-[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]oxyacetate.

Molecular Properties

Compound Namebenzyl 2-[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]oxyacetate
PubChem CID134170279
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC Namebenzyl 2-[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]oxyacetate
SMILESCc1ccc(Cn2c(OCC(=O)OCc3ccccc3)nc3cccnc32)cc1
InChIInChI=1S/C23H21N3O3/c1-17-9-11-18(12-10-17)14-26-22-20(8-5-13-24-22)25-23(26)29-16-21(27)28-15-19-6-3-2-4-7-19/h2-13H,14-16H2,1H3
InChIKeyAZTIQJFLAUSLCM-UHFFFAOYSA-N
XLogP3.91
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]oxyacetic acid
CID 134170281
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]oxyacetamide;methyl 2-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]oxyacetate
CID 159178619
3-benzylimidazo[4,5-b]pyridin-2-amine
CID 79289249
N-[(1R)-2-hydroxy-1-phenylethyl]-2-[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide
CID 134170294
N-[[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]furan-2-carboxamide
CID 53022329
1-[1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidin-4-yl]-3-(4-methylphenyl)urea
CID 53021678
3-[(4-methoxyphenyl)methyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine
CID 117164845
N-[(3-benzylimidazo[4,5-b]pyridin-2-yl)methyl]-2-methylpropanamide
CID 53020555
2-(3-methoxyphenyl)-N-[[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]acetamide
CID 53020568
[3-[(4-phenylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methanol
CID 10852829
4-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-(3,5-dimethylphenyl)butanamide
CID 46360070
4-[[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]methyl]benzoic acid
CID 50742731

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]oxyacetate?
The IUPAC name of benzyl 2-[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]oxyacetate (CID 134170279) is benzyl 2-[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]oxyacetate.
What is the SMILES notation for benzyl 2-[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]oxyacetate?
The canonical SMILES for benzyl 2-[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]oxyacetate is Cc1ccc(Cn2c(OCC(=O)OCc3ccccc3)nc3cccnc32)cc1.
What is the InChIKey of benzyl 2-[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]oxyacetate?
The InChIKey is AZTIQJFLAUSLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c1-17-9-11-18(12-10-17)14-26-22-20(8-5-13-24-22)25-23(26)29-16-21(27)28-15-19-6-3-2-4-7-19/h2-13H,14-16H2,1H3.
What are the key properties of benzyl 2-[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]oxyacetate?
benzyl 2-[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]oxyacetate has a molecular weight of 387.44 g/mol, XLogP of 3.91, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]oxyacetate is sourced from PubChem (CID 134170279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).