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

C24H22N4O3 — CID 20867532

IUPACethyl 4-[3-(3-phenylimidazo[4,5-b]pyridin-2-yl)propanoylamino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)CCc2nc3cccnc3n2-c2ccccc2)cc1
InChIInChI=1S/C24H22N4O3/c1-2-31-24(30)17-10-12-18(13-11-17)26-22(29)15-14-21-27-20-9-6-16-25-23(20)28(21)19-7-4-3-5-8-19/h3-13,16H,2,14-15H2,1H3,(H,26,29)
InChIKeyLREZOYQNHGLEMJ-UHFFFAOYSA-N
MW414.47 g/mol
LogP4.17
Rot. Bonds7

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

ethyl 4-[3-(3-phenylimidazo[4,5-b]pyridin-2-yl)propanoylamino]benzoate (PubChem CID 20867532) has the molecular formula C24H22N4O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is ethyl 4-[3-(3-phenylimidazo[4,5-b]pyridin-2-yl)propanoylamino]benzoate.

Molecular Properties

Compound Nameethyl 4-[3-(3-phenylimidazo[4,5-b]pyridin-2-yl)propanoylamino]benzoate
PubChem CID20867532
Molecular FormulaC24H22N4O3
Molecular Weight414.47 g/mol
Exact Mass414.17
IUPAC Nameethyl 4-[3-(3-phenylimidazo[4,5-b]pyridin-2-yl)propanoylamino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)CCc2nc3cccnc3n2-c2ccccc2)cc1
InChIInChI=1S/C24H22N4O3/c1-2-31-24(30)17-10-12-18(13-11-17)26-22(29)15-14-21-27-20-9-6-16-25-23(20)28(21)19-7-4-3-5-8-19/h3-13,16H,2,14-15H2,1H3,(H,26,29)
InChIKeyLREZOYQNHGLEMJ-UHFFFAOYSA-N
XLogP4.17
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-(3-phenylimidazo[4,5-b]pyridin-2-yl)propanoylamino]benzoate?
The IUPAC name of ethyl 4-[3-(3-phenylimidazo[4,5-b]pyridin-2-yl)propanoylamino]benzoate (CID 20867532) is ethyl 4-[3-(3-phenylimidazo[4,5-b]pyridin-2-yl)propanoylamino]benzoate.
What is the SMILES notation for ethyl 4-[3-(3-phenylimidazo[4,5-b]pyridin-2-yl)propanoylamino]benzoate?
The canonical SMILES for ethyl 4-[3-(3-phenylimidazo[4,5-b]pyridin-2-yl)propanoylamino]benzoate is CCOC(=O)c1ccc(NC(=O)CCc2nc3cccnc3n2-c2ccccc2)cc1.
What is the InChIKey of ethyl 4-[3-(3-phenylimidazo[4,5-b]pyridin-2-yl)propanoylamino]benzoate?
The InChIKey is LREZOYQNHGLEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3/c1-2-31-24(30)17-10-12-18(13-11-17)26-22(29)15-14-21-27-20-9-6-16-25-23(20)28(21)19-7-4-3-5-8-19/h3-13,16H,2,14-15H2,1H3,(H,26,29).
What are the key properties of ethyl 4-[3-(3-phenylimidazo[4,5-b]pyridin-2-yl)propanoylamino]benzoate?
ethyl 4-[3-(3-phenylimidazo[4,5-b]pyridin-2-yl)propanoylamino]benzoate has a molecular weight of 414.47 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-(3-phenylimidazo[4,5-b]pyridin-2-yl)propanoylamino]benzoate is sourced from PubChem (CID 20867532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).