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

C23H22N4O3S — CID 20867609

IUPACethyl 3-[3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanoylamino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)CCc2nc3cccnc3n2Cc2cccs2)c1
InChIInChI=1S/C23H22N4O3S/c1-2-30-23(29)16-6-3-7-17(14-16)25-21(28)11-10-20-26-19-9-4-12-24-22(19)27(20)15-18-8-5-13-31-18/h3-9,12-14H,2,10-11,15H2,1H3,(H,25,28)
InChIKeyZUMUVISTKOLPCU-UHFFFAOYSA-N
MW434.52 g/mol
LogP4.29
Rot. Bonds8

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

ethyl 3-[3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanoylamino]benzoate (PubChem CID 20867609) has the molecular formula C23H22N4O3S and a molecular weight of 434.52 g/mol. Its IUPAC name is ethyl 3-[3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanoylamino]benzoate.

Molecular Properties

Compound Nameethyl 3-[3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanoylamino]benzoate
PubChem CID20867609
Molecular FormulaC23H22N4O3S
Molecular Weight434.52 g/mol
Exact Mass434.14
IUPAC Nameethyl 3-[3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanoylamino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)CCc2nc3cccnc3n2Cc2cccs2)c1
InChIInChI=1S/C23H22N4O3S/c1-2-30-23(29)16-6-3-7-17(14-16)25-21(28)11-10-20-26-19-9-4-12-24-22(19)27(20)15-18-8-5-13-31-18/h3-9,12-14H,2,10-11,15H2,1H3,(H,25,28)
InChIKeyZUMUVISTKOLPCU-UHFFFAOYSA-N
XLogP4.29
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-chloro-4-methylphenyl)-3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanamide
CID 20867614
N-(2,6-dimethylphenyl)-3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanamide
CID 20867634
N-(5-chloro-2-pyridinyl)-3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanamide
CID 20867637
3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]-N-[2-(2,3,4-trimethoxyphenyl)ethyl]propanamide
CID 20867618
N-(4-methoxyphenyl)-3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
CID 20867188
N-(4-methylphenyl)-3-(3-propylimidazo[4,5-b]pyridin-2-yl)propanamide
CID 20867458
ethyl 3-[3-(1H-benzimidazol-2-yl)propanoylamino]benzoate
CID 34202274
4-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-(3-methoxyphenyl)butanamide
CID 46360040
3-(3-thiophen-2-ylpropanoylamino)benzamide
CID 17436122
ethyl 3-[4-(7-oxo-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)butanoylamino]benzoate
CID 22553519
ethyl 3-[3-[4-ethyl-5-[(4-methylanilino)methyl]-1,2,4-triazol-3-yl]propanoylamino]benzoate
CID 90369324
ethyl 3-[[4-oxo-4-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)-1,4-diazepan-1-yl]butanoyl]amino]benzoate
CID 53111698

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanoylamino]benzoate?
The IUPAC name of ethyl 3-[3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanoylamino]benzoate (CID 20867609) is ethyl 3-[3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanoylamino]benzoate.
What is the SMILES notation for ethyl 3-[3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanoylamino]benzoate?
The canonical SMILES for ethyl 3-[3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanoylamino]benzoate is CCOC(=O)c1cccc(NC(=O)CCc2nc3cccnc3n2Cc2cccs2)c1.
What is the InChIKey of ethyl 3-[3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanoylamino]benzoate?
The InChIKey is ZUMUVISTKOLPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3S/c1-2-30-23(29)16-6-3-7-17(14-16)25-21(28)11-10-20-26-19-9-4-12-24-22(19)27(20)15-18-8-5-13-31-18/h3-9,12-14H,2,10-11,15H2,1H3,(H,25,28).
What are the key properties of ethyl 3-[3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanoylamino]benzoate?
ethyl 3-[3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanoylamino]benzoate has a molecular weight of 434.52 g/mol, XLogP of 4.29, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanoylamino]benzoate is sourced from PubChem (CID 20867609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).