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

C23H20N4O3 — CID 20867533

IUPACmethyl 4-[3-(3-phenylimidazo[4,5-b]pyridin-2-yl)propanoylamino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)CCc2nc3cccnc3n2-c2ccccc2)cc1
InChIInChI=1S/C23H20N4O3/c1-30-23(29)16-9-11-17(12-10-16)25-21(28)14-13-20-26-19-8-5-15-24-22(19)27(20)18-6-3-2-4-7-18/h2-12,15H,13-14H2,1H3,(H,25,28)
InChIKeyJYNZTZYDPIOSKE-UHFFFAOYSA-N
MW400.44 g/mol
LogP3.78
Rot. Bonds6

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

methyl 4-[3-(3-phenylimidazo[4,5-b]pyridin-2-yl)propanoylamino]benzoate (PubChem CID 20867533) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is methyl 4-[3-(3-phenylimidazo[4,5-b]pyridin-2-yl)propanoylamino]benzoate.

Molecular Properties

Compound Namemethyl 4-[3-(3-phenylimidazo[4,5-b]pyridin-2-yl)propanoylamino]benzoate
PubChem CID20867533
Molecular FormulaC23H20N4O3
Molecular Weight400.44 g/mol
Exact Mass400.15
IUPAC Namemethyl 4-[3-(3-phenylimidazo[4,5-b]pyridin-2-yl)propanoylamino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)CCc2nc3cccnc3n2-c2ccccc2)cc1
InChIInChI=1S/C23H20N4O3/c1-30-23(29)16-9-11-17(12-10-16)25-21(28)14-13-20-26-19-8-5-15-24-22(19)27(20)18-6-3-2-4-7-18/h2-12,15H,13-14H2,1H3,(H,25,28)
InChIKeyJYNZTZYDPIOSKE-UHFFFAOYSA-N
XLogP3.78
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[3-(3-phenylimidazo[4,5-b]pyridin-2-yl)propanoylamino]benzoate?
The IUPAC name of methyl 4-[3-(3-phenylimidazo[4,5-b]pyridin-2-yl)propanoylamino]benzoate (CID 20867533) is methyl 4-[3-(3-phenylimidazo[4,5-b]pyridin-2-yl)propanoylamino]benzoate.
What is the SMILES notation for methyl 4-[3-(3-phenylimidazo[4,5-b]pyridin-2-yl)propanoylamino]benzoate?
The canonical SMILES for methyl 4-[3-(3-phenylimidazo[4,5-b]pyridin-2-yl)propanoylamino]benzoate is COC(=O)c1ccc(NC(=O)CCc2nc3cccnc3n2-c2ccccc2)cc1.
What is the InChIKey of methyl 4-[3-(3-phenylimidazo[4,5-b]pyridin-2-yl)propanoylamino]benzoate?
The InChIKey is JYNZTZYDPIOSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3/c1-30-23(29)16-9-11-17(12-10-16)25-21(28)14-13-20-26-19-8-5-15-24-22(19)27(20)18-6-3-2-4-7-18/h2-12,15H,13-14H2,1H3,(H,25,28).
What are the key properties of methyl 4-[3-(3-phenylimidazo[4,5-b]pyridin-2-yl)propanoylamino]benzoate?
methyl 4-[3-(3-phenylimidazo[4,5-b]pyridin-2-yl)propanoylamino]benzoate has a molecular weight of 400.44 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[3-(3-phenylimidazo[4,5-b]pyridin-2-yl)propanoylamino]benzoate is sourced from PubChem (CID 20867533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).