ethyl (2R,3S)-5-methoxy-3-phenyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate

C17H18N2O3 — CID 139236796

IUPACethyl (2R,3S)-5-methoxy-3-phenyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)[C@@H]1N=C2C=CC=C(OC)N2[C@H]1c1ccccc1
InChIInChI=1S/C17H18N2O3/c1-3-22-17(20)15-16(12-8-5-4-6-9-12)19-13(18-15)10-7-11-14(19)21-2/h4-11,15-16H,3H2,1-2H3/t15-,16+/m1/s1
InChIKeyWKPSEIFBEMKDOP-CVEARBPZSA-N
MW298.34 g/mol
LogP2.43
Rot. Bonds4

About ethyl (2R,3S)-5-methoxy-3-phenyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate

ethyl (2R,3S)-5-methoxy-3-phenyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 139236796) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is ethyl (2R,3S)-5-methoxy-3-phenyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl (2R,3S)-5-methoxy-3-phenyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate
PubChem CID139236796
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Nameethyl (2R,3S)-5-methoxy-3-phenyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)[C@@H]1N=C2C=CC=C(OC)N2[C@H]1c1ccccc1
InChIInChI=1S/C17H18N2O3/c1-3-22-17(20)15-16(12-8-5-4-6-9-12)19-13(18-15)10-7-11-14(19)21-2/h4-11,15-16H,3H2,1-2H3/t15-,16+/m1/s1
InChIKeyWKPSEIFBEMKDOP-CVEARBPZSA-N
XLogP2.43
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl (2R,3S)-5-methoxy-3-phenyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate with MolForge

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Related Compounds

methyl (4R,5R)-3-benzyl-5-methyl-2,4-diphenyl-4H-imidazole-5-carboxylate
CID 44591521
methyl (4R,5R)-3-benzyl-2,4-diphenyl-5-propan-2-yl-4H-imidazole-5-carboxylate
CID 44591522
methyl (4R,5R)-3,5-dibenzyl-2,4-diphenyl-4H-imidazole-5-carboxylate
CID 44591523
methyl (2R,3S)-6-chloro-3-(4-fluorophenyl)-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate
CID 139236791
(4S,5S)-3-benzyl-2,5-dimethyl-4-phenyl-4H-imidazole-5-carboxylic acid
CID 70864045
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
Ethyl 2-[1-(diethylamino)propylideneamino]-3-phenylpropanoate
CID 134875620
(4S,5R)-3-benzyl-2,5-dimethyl-4-phenyl-4H-imidazole-5-carboxylic acid
CID 135002318
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

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,3S)-5-methoxy-3-phenyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of ethyl (2R,3S)-5-methoxy-3-phenyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate (CID 139236796) is ethyl (2R,3S)-5-methoxy-3-phenyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for ethyl (2R,3S)-5-methoxy-3-phenyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for ethyl (2R,3S)-5-methoxy-3-phenyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate is CCOC(=O)[C@@H]1N=C2C=CC=C(OC)N2[C@H]1c1ccccc1.
What is the InChIKey of ethyl (2R,3S)-5-methoxy-3-phenyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is WKPSEIFBEMKDOP-CVEARBPZSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-3-22-17(20)15-16(12-8-5-4-6-9-12)19-13(18-15)10-7-11-14(19)21-2/h4-11,15-16H,3H2,1-2H3/t15-,16+/m1/s1.
What are the key properties of ethyl (2R,3S)-5-methoxy-3-phenyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate?
ethyl (2R,3S)-5-methoxy-3-phenyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 298.34 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,3S)-5-methoxy-3-phenyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 139236796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).