ethyl 4-(3-methylimidazo[4,5-b]pyridin-2-yl)benzoate

C16H15N3O2 — CID 170985522

IUPACethyl 4-(3-methylimidazo[4,5-b]pyridin-2-yl)benzoate
SMILESCCOC(=O)c1ccc(-c2nc3cccnc3n2C)cc1
InChIInChI=1S/C16H15N3O2/c1-3-21-16(20)12-8-6-11(7-9-12)14-18-13-5-4-10-17-15(13)19(14)2/h4-10H,3H2,1-2H3
InChIKeyLTIBLAWFWAMBCD-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.81
Rot. Bonds3

About ethyl 4-(3-methylimidazo[4,5-b]pyridin-2-yl)benzoate

ethyl 4-(3-methylimidazo[4,5-b]pyridin-2-yl)benzoate (PubChem CID 170985522) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is ethyl 4-(3-methylimidazo[4,5-b]pyridin-2-yl)benzoate.

Molecular Properties

Compound Nameethyl 4-(3-methylimidazo[4,5-b]pyridin-2-yl)benzoate
PubChem CID170985522
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Nameethyl 4-(3-methylimidazo[4,5-b]pyridin-2-yl)benzoate
SMILESCCOC(=O)c1ccc(-c2nc3cccnc3n2C)cc1
InChIInChI=1S/C16H15N3O2/c1-3-21-16(20)12-8-6-11(7-9-12)14-18-13-5-4-10-17-15(13)19(14)2/h4-10H,3H2,1-2H3
InChIKeyLTIBLAWFWAMBCD-UHFFFAOYSA-N
XLogP2.81
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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ethyl 4-(3-formyl-2-pyridinyl)benzoate
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CID 162378409
ethyl 4-[[(3R)-3-(2-ethylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carbonyl]amino]benzoate
CID 95108453
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3-(3-methylimidazo[4,5-b]pyridin-2-yl)-N-[(3-methylphenyl)methyl]benzamide
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ethyl 2-[[2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]acetyl]amino]acetate
CID 14390235
[3-(3-methylimidazo[4,5-b]pyridin-2-yl)phenyl]-[4-(4-methylphenyl)piperazin-1-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3-methylimidazo[4,5-b]pyridin-2-yl)benzoate?
The IUPAC name of ethyl 4-(3-methylimidazo[4,5-b]pyridin-2-yl)benzoate (CID 170985522) is ethyl 4-(3-methylimidazo[4,5-b]pyridin-2-yl)benzoate.
What is the SMILES notation for ethyl 4-(3-methylimidazo[4,5-b]pyridin-2-yl)benzoate?
The canonical SMILES for ethyl 4-(3-methylimidazo[4,5-b]pyridin-2-yl)benzoate is CCOC(=O)c1ccc(-c2nc3cccnc3n2C)cc1.
What is the InChIKey of ethyl 4-(3-methylimidazo[4,5-b]pyridin-2-yl)benzoate?
The InChIKey is LTIBLAWFWAMBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-3-21-16(20)12-8-6-11(7-9-12)14-18-13-5-4-10-17-15(13)19(14)2/h4-10H,3H2,1-2H3.
What are the key properties of ethyl 4-(3-methylimidazo[4,5-b]pyridin-2-yl)benzoate?
ethyl 4-(3-methylimidazo[4,5-b]pyridin-2-yl)benzoate has a molecular weight of 281.32 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3-methylimidazo[4,5-b]pyridin-2-yl)benzoate is sourced from PubChem (CID 170985522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).