benzyl 3-[[4-(8-cyanoimidazo[1,2-a]pyridin-2-yl)benzoyl]amino]propanoate

C25H20N4O3 — CID 19965295

IUPACbenzyl 3-[[4-(8-cyanoimidazo[1,2-a]pyridin-2-yl)benzoyl]amino]propanoate
SMILESN#Cc1cccn2cc(-c3ccc(C(=O)NCCC(=O)OCc4ccccc4)cc3)nc12
InChIInChI=1S/C25H20N4O3/c26-15-21-7-4-14-29-16-22(28-24(21)29)19-8-10-20(11-9-19)25(31)27-13-12-23(30)32-17-18-5-2-1-3-6-18/h1-11,14,16H,12-13,17H2,(H,27,31)
InChIKeyCVONERIAPXYBNM-UHFFFAOYSA-N
MW424.46 g/mol
LogP3.74
Rot. Bonds7

About benzyl 3-[[4-(8-cyanoimidazo[1,2-a]pyridin-2-yl)benzoyl]amino]propanoate

benzyl 3-[[4-(8-cyanoimidazo[1,2-a]pyridin-2-yl)benzoyl]amino]propanoate (PubChem CID 19965295) has the molecular formula C25H20N4O3 and a molecular weight of 424.46 g/mol. Its IUPAC name is benzyl 3-[[4-(8-cyanoimidazo[1,2-a]pyridin-2-yl)benzoyl]amino]propanoate.

Molecular Properties

Compound Namebenzyl 3-[[4-(8-cyanoimidazo[1,2-a]pyridin-2-yl)benzoyl]amino]propanoate
PubChem CID19965295
Molecular FormulaC25H20N4O3
Molecular Weight424.46 g/mol
Exact Mass424.15
IUPAC Namebenzyl 3-[[4-(8-cyanoimidazo[1,2-a]pyridin-2-yl)benzoyl]amino]propanoate
SMILESN#Cc1cccn2cc(-c3ccc(C(=O)NCCC(=O)OCc4ccccc4)cc3)nc12
InChIInChI=1S/C25H20N4O3/c26-15-21-7-4-14-29-16-22(28-24(21)29)19-8-10-20(11-9-19)25(31)27-13-12-23(30)32-17-18-5-2-1-3-6-18/h1-11,14,16H,12-13,17H2,(H,27,31)
InChIKeyCVONERIAPXYBNM-UHFFFAOYSA-N
XLogP3.74
TPSA96.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of benzyl 3-[[4-(8-cyanoimidazo[1,2-a]pyridin-2-yl)benzoyl]amino]propanoate?
The IUPAC name of benzyl 3-[[4-(8-cyanoimidazo[1,2-a]pyridin-2-yl)benzoyl]amino]propanoate (CID 19965295) is benzyl 3-[[4-(8-cyanoimidazo[1,2-a]pyridin-2-yl)benzoyl]amino]propanoate.
What is the SMILES notation for benzyl 3-[[4-(8-cyanoimidazo[1,2-a]pyridin-2-yl)benzoyl]amino]propanoate?
The canonical SMILES for benzyl 3-[[4-(8-cyanoimidazo[1,2-a]pyridin-2-yl)benzoyl]amino]propanoate is N#Cc1cccn2cc(-c3ccc(C(=O)NCCC(=O)OCc4ccccc4)cc3)nc12.
What is the InChIKey of benzyl 3-[[4-(8-cyanoimidazo[1,2-a]pyridin-2-yl)benzoyl]amino]propanoate?
The InChIKey is CVONERIAPXYBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O3/c26-15-21-7-4-14-29-16-22(28-24(21)29)19-8-10-20(11-9-19)25(31)27-13-12-23(30)32-17-18-5-2-1-3-6-18/h1-11,14,16H,12-13,17H2,(H,27,31).
What are the key properties of benzyl 3-[[4-(8-cyanoimidazo[1,2-a]pyridin-2-yl)benzoyl]amino]propanoate?
benzyl 3-[[4-(8-cyanoimidazo[1,2-a]pyridin-2-yl)benzoyl]amino]propanoate has a molecular weight of 424.46 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-[[4-(8-cyanoimidazo[1,2-a]pyridin-2-yl)benzoyl]amino]propanoate is sourced from PubChem (CID 19965295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).