ethyl 3-(6-methyl-2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)-3-phenylpropanoate

C18H19N3O3 — CID 66982622

IUPACethyl 3-(6-methyl-2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)-3-phenylpropanoate
SMILESCCOC(=O)CC(c1ccccc1)n1c(=O)[nH]c2cnc(C)cc21
InChIInChI=1S/C18H19N3O3/c1-3-24-17(22)10-15(13-7-5-4-6-8-13)21-16-9-12(2)19-11-14(16)20-18(21)23/h4-9,11,15H,3,10H2,1-2H3,(H,20,23)
InChIKeyDBRLHNBERGOBHQ-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.58
Rot. Bonds5

About ethyl 3-(6-methyl-2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)-3-phenylpropanoate

ethyl 3-(6-methyl-2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)-3-phenylpropanoate (PubChem CID 66982622) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is ethyl 3-(6-methyl-2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)-3-phenylpropanoate.

Molecular Properties

Compound Nameethyl 3-(6-methyl-2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)-3-phenylpropanoate
PubChem CID66982622
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Nameethyl 3-(6-methyl-2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)-3-phenylpropanoate
SMILESCCOC(=O)CC(c1ccccc1)n1c(=O)[nH]c2cnc(C)cc21
InChIInChI=1S/C18H19N3O3/c1-3-24-17(22)10-15(13-7-5-4-6-8-13)21-16-9-12(2)19-11-14(16)20-18(21)23/h4-9,11,15H,3,10H2,1-2H3,(H,20,23)
InChIKeyDBRLHNBERGOBHQ-UHFFFAOYSA-N
XLogP2.58
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(6-methyl-2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)-3-phenylpropanoate?
The IUPAC name of ethyl 3-(6-methyl-2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)-3-phenylpropanoate (CID 66982622) is ethyl 3-(6-methyl-2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)-3-phenylpropanoate.
What is the SMILES notation for ethyl 3-(6-methyl-2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)-3-phenylpropanoate?
The canonical SMILES for ethyl 3-(6-methyl-2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)-3-phenylpropanoate is CCOC(=O)CC(c1ccccc1)n1c(=O)[nH]c2cnc(C)cc21.
What is the InChIKey of ethyl 3-(6-methyl-2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)-3-phenylpropanoate?
The InChIKey is DBRLHNBERGOBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-3-24-17(22)10-15(13-7-5-4-6-8-13)21-16-9-12(2)19-11-14(16)20-18(21)23/h4-9,11,15H,3,10H2,1-2H3,(H,20,23).
What are the key properties of ethyl 3-(6-methyl-2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)-3-phenylpropanoate?
ethyl 3-(6-methyl-2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)-3-phenylpropanoate has a molecular weight of 325.37 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(6-methyl-2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)-3-phenylpropanoate is sourced from PubChem (CID 66982622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).