ethyl (2R,3S)-6-cyano-3-phenyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate

C17H15N3O2 — CID 139236794

IUPACethyl (2R,3S)-6-cyano-3-phenyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)[C@@H]1N=C2C=CC(C#N)=CN2[C@H]1c1ccccc1
InChIInChI=1S/C17H15N3O2/c1-2-22-17(21)15-16(13-6-4-3-5-7-13)20-11-12(10-18)8-9-14(20)19-15/h3-9,11,15-16H,2H2,1H3/t15-,16+/m1/s1
InChIKeyWAIPWNDJCNPTQA-CVEARBPZSA-N
MW293.33 g/mol
LogP2.35
Rot. Bonds3

About ethyl (2R,3S)-6-cyano-3-phenyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate

ethyl (2R,3S)-6-cyano-3-phenyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 139236794) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is ethyl (2R,3S)-6-cyano-3-phenyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl (2R,3S)-6-cyano-3-phenyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate
PubChem CID139236794
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Nameethyl (2R,3S)-6-cyano-3-phenyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)[C@@H]1N=C2C=CC(C#N)=CN2[C@H]1c1ccccc1
InChIInChI=1S/C17H15N3O2/c1-2-22-17(21)15-16(13-6-4-3-5-7-13)20-11-12(10-18)8-9-14(20)19-15/h3-9,11,15-16H,2H2,1H3/t15-,16+/m1/s1
InChIKeyWAIPWNDJCNPTQA-CVEARBPZSA-N
XLogP2.35
TPSA65.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (4R,5R)-3-benzyl-5-methyl-2,4-diphenyl-4H-imidazole-5-carboxylate
CID 44591521
methyl (2R,3S)-6-chloro-3-(4-fluorophenyl)-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate
CID 139236791
Ethyl 6-bromo-2-(4-fluorophenyl)-2,3-dihydroimidazo[1,2-a]pyridine-3-carboxylate
CID 67963127
Ethyl 6-chloro-2-(4-fluorophenyl)-7-methyl-2,3-dihydroimidazo[1,2-a]pyridine-3-carboxylate
CID 67963133
Methyl 1-butyl-5-phenyl-4,5-dihydroimidazole-4-carboxylate
CID 135041040
ethyl (2R,3S)-3-phenyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate
CID 139236789
methyl (2R,3S)-3-(4-chlorophenyl)-7-methyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate
CID 139236790
methyl (2R,3S)-6-bromo-3-(4-methylphenyl)-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate
CID 139236793
ethyl (2R,3S)-7-methoxy-3-phenyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate
CID 139236795
ethyl (2R,3S)-5-methoxy-3-phenyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate
CID 139236796
ethyl (2R,3S)-3,5-diphenyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate
CID 139236797
ethyl (2R,3S)-3,7-diphenyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate
CID 139236798

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,3S)-6-cyano-3-phenyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of ethyl (2R,3S)-6-cyano-3-phenyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate (CID 139236794) is ethyl (2R,3S)-6-cyano-3-phenyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for ethyl (2R,3S)-6-cyano-3-phenyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for ethyl (2R,3S)-6-cyano-3-phenyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate is CCOC(=O)[C@@H]1N=C2C=CC(C#N)=CN2[C@H]1c1ccccc1.
What is the InChIKey of ethyl (2R,3S)-6-cyano-3-phenyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is WAIPWNDJCNPTQA-CVEARBPZSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-2-22-17(21)15-16(13-6-4-3-5-7-13)20-11-12(10-18)8-9-14(20)19-15/h3-9,11,15-16H,2H2,1H3/t15-,16+/m1/s1.
What are the key properties of ethyl (2R,3S)-6-cyano-3-phenyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate?
ethyl (2R,3S)-6-cyano-3-phenyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 293.33 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,3S)-6-cyano-3-phenyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 139236794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).