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

C17H17N3O3 — CID 58497411

IUPACethyl (3R)-3-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)-3-phenylpropanoate
SMILESCCOC(=O)C[C@H](c1ccccc1)n1c(=O)[nH]c2cnccc21
InChIInChI=1S/C17H17N3O3/c1-2-23-16(21)10-15(12-6-4-3-5-7-12)20-14-8-9-18-11-13(14)19-17(20)22/h3-9,11,15H,2,10H2,1H3,(H,19,22)/t15-/m1/s1
InChIKeySUIBBVMZLBJVDK-OAHLLOKOSA-N
MW311.34 g/mol
LogP2.27
Rot. Bonds5

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

ethyl (3R)-3-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)-3-phenylpropanoate (PubChem CID 58497411) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is ethyl (3R)-3-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)-3-phenylpropanoate.

Molecular Properties

Compound Nameethyl (3R)-3-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)-3-phenylpropanoate
PubChem CID58497411
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Nameethyl (3R)-3-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)-3-phenylpropanoate
SMILESCCOC(=O)C[C@H](c1ccccc1)n1c(=O)[nH]c2cnccc21
InChIInChI=1S/C17H17N3O3/c1-2-23-16(21)10-15(12-6-4-3-5-7-12)20-14-8-9-18-11-13(14)19-17(20)22/h3-9,11,15H,2,10H2,1H3,(H,19,22)/t15-/m1/s1
InChIKeySUIBBVMZLBJVDK-OAHLLOKOSA-N
XLogP2.27
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-3-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)-3-phenylpropanoate?
The IUPAC name of ethyl (3R)-3-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)-3-phenylpropanoate (CID 58497411) is ethyl (3R)-3-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)-3-phenylpropanoate.
What is the SMILES notation for ethyl (3R)-3-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)-3-phenylpropanoate?
The canonical SMILES for ethyl (3R)-3-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)-3-phenylpropanoate is CCOC(=O)C[C@H](c1ccccc1)n1c(=O)[nH]c2cnccc21.
What is the InChIKey of ethyl (3R)-3-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)-3-phenylpropanoate?
The InChIKey is SUIBBVMZLBJVDK-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-2-23-16(21)10-15(12-6-4-3-5-7-12)20-14-8-9-18-11-13(14)19-17(20)22/h3-9,11,15H,2,10H2,1H3,(H,19,22)/t15-/m1/s1.
What are the key properties of ethyl (3R)-3-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)-3-phenylpropanoate?
ethyl (3R)-3-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)-3-phenylpropanoate has a molecular weight of 311.34 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-3-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)-3-phenylpropanoate is sourced from PubChem (CID 58497411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).