methyl (2S,3S)-1-acetyl-5-oxo-2,3-diphenyl-2,3-dihydroimidazo[1,2-a]pyridine-7-carboxylate

C23H20N2O4 — CID 163363866

IUPACmethyl (2S,3S)-1-acetyl-5-oxo-2,3-diphenyl-2,3-dihydroimidazo[1,2-a]pyridine-7-carboxylate
SMILESCOC(=O)c1cc2n(c(=O)c1)[C@@H](c1ccccc1)[C@H](c1ccccc1)N2C(C)=O
InChIInChI=1S/C23H20N2O4/c1-15(26)24-19-13-18(23(28)29-2)14-20(27)25(19)22(17-11-7-4-8-12-17)21(24)16-9-5-3-6-10-16/h3-14,21-22H,1-2H3/t21-,22-/m0/s1
InChIKeyQRHLIGBPYYCARP-VXKWHMMOSA-N
MW388.42 g/mol
LogP3.33
Rot. Bonds3

About methyl (2S,3S)-1-acetyl-5-oxo-2,3-diphenyl-2,3-dihydroimidazo[1,2-a]pyridine-7-carboxylate

methyl (2S,3S)-1-acetyl-5-oxo-2,3-diphenyl-2,3-dihydroimidazo[1,2-a]pyridine-7-carboxylate (PubChem CID 163363866) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is methyl (2S,3S)-1-acetyl-5-oxo-2,3-diphenyl-2,3-dihydroimidazo[1,2-a]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl (2S,3S)-1-acetyl-5-oxo-2,3-diphenyl-2,3-dihydroimidazo[1,2-a]pyridine-7-carboxylate
PubChem CID163363866
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC Namemethyl (2S,3S)-1-acetyl-5-oxo-2,3-diphenyl-2,3-dihydroimidazo[1,2-a]pyridine-7-carboxylate
SMILESCOC(=O)c1cc2n(c(=O)c1)[C@@H](c1ccccc1)[C@H](c1ccccc1)N2C(C)=O
InChIInChI=1S/C23H20N2O4/c1-15(26)24-19-13-18(23(28)29-2)14-20(27)25(19)22(17-11-7-4-8-12-17)21(24)16-9-5-3-6-10-16/h3-14,21-22H,1-2H3/t21-,22-/m0/s1
InChIKeyQRHLIGBPYYCARP-VXKWHMMOSA-N
XLogP3.33
TPSA68.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl (2S,3S)-1-acetyl-5-oxo-2,3-diphenyl-2,3-dihydroimidazo[1,2-a]pyridine-7-carboxylate?
The IUPAC name of methyl (2S,3S)-1-acetyl-5-oxo-2,3-diphenyl-2,3-dihydroimidazo[1,2-a]pyridine-7-carboxylate (CID 163363866) is methyl (2S,3S)-1-acetyl-5-oxo-2,3-diphenyl-2,3-dihydroimidazo[1,2-a]pyridine-7-carboxylate.
What is the SMILES notation for methyl (2S,3S)-1-acetyl-5-oxo-2,3-diphenyl-2,3-dihydroimidazo[1,2-a]pyridine-7-carboxylate?
The canonical SMILES for methyl (2S,3S)-1-acetyl-5-oxo-2,3-diphenyl-2,3-dihydroimidazo[1,2-a]pyridine-7-carboxylate is COC(=O)c1cc2n(c(=O)c1)[C@@H](c1ccccc1)[C@H](c1ccccc1)N2C(C)=O.
What is the InChIKey of methyl (2S,3S)-1-acetyl-5-oxo-2,3-diphenyl-2,3-dihydroimidazo[1,2-a]pyridine-7-carboxylate?
The InChIKey is QRHLIGBPYYCARP-VXKWHMMOSA-N. The full InChI is InChI=1S/C23H20N2O4/c1-15(26)24-19-13-18(23(28)29-2)14-20(27)25(19)22(17-11-7-4-8-12-17)21(24)16-9-5-3-6-10-16/h3-14,21-22H,1-2H3/t21-,22-/m0/s1.
What are the key properties of methyl (2S,3S)-1-acetyl-5-oxo-2,3-diphenyl-2,3-dihydroimidazo[1,2-a]pyridine-7-carboxylate?
methyl (2S,3S)-1-acetyl-5-oxo-2,3-diphenyl-2,3-dihydroimidazo[1,2-a]pyridine-7-carboxylate has a molecular weight of 388.42 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3S)-1-acetyl-5-oxo-2,3-diphenyl-2,3-dihydroimidazo[1,2-a]pyridine-7-carboxylate is sourced from PubChem (CID 163363866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).