methyl 3-[(1S)-1-[(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]propyl]benzoate

C22H25N3O4 — CID 163745270

IUPACmethyl 3-[(1S)-1-[(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]propyl]benzoate
SMILESCCOc1cccn2c(C(=O)N[C@@H](CC)c3cccc(C(=O)OC)c3)c(C)nc12
InChIInChI=1S/C22H25N3O4/c1-5-17(15-9-7-10-16(13-15)22(27)28-4)24-21(26)19-14(3)23-20-18(29-6-2)11-8-12-25(19)20/h7-13,17H,5-6H2,1-4H3,(H,24,26)/t17-/m0/s1
InChIKeyLLHPIWDUENIDME-KRWDZBQOSA-N
MW395.46 g/mol
LogP3.71
Rot. Bonds7

About methyl 3-[(1S)-1-[(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]propyl]benzoate

methyl 3-[(1S)-1-[(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]propyl]benzoate (PubChem CID 163745270) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is methyl 3-[(1S)-1-[(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]propyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[(1S)-1-[(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]propyl]benzoate
PubChem CID163745270
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Namemethyl 3-[(1S)-1-[(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]propyl]benzoate
SMILESCCOc1cccn2c(C(=O)N[C@@H](CC)c3cccc(C(=O)OC)c3)c(C)nc12
InChIInChI=1S/C22H25N3O4/c1-5-17(15-9-7-10-16(13-15)22(27)28-4)24-21(26)19-14(3)23-20-18(29-6-2)11-8-12-25(19)20/h7-13,17H,5-6H2,1-4H3,(H,24,26)/t17-/m0/s1
InChIKeyLLHPIWDUENIDME-KRWDZBQOSA-N
XLogP3.71
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-[(1S)-1-[(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]propyl]benzoate with MolForge

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Related Compounds

methyl 3-[(2R)-4-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-4-oxobutan-2-yl]benzoate
CID 159237758
methyl 3-[(1S)-1-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]benzoate
CID 90091198
8-ethoxy-2-methyl-N-[(2S)-1-(2-methylphenyl)butan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 163952937
8-[(2,6-difluorophenyl)methoxy]-N-[(1R)-1-(3-fluorophenyl)-2-hydroxyethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 90090866
8-ethoxy-2-methyl-N-(2-methylphenyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 110659989
8-ethoxy-2-methyl-N-(2-phenoxyethyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 90090368
8-(3,3-dimethylbutoxy)-N-[(1R)-2-hydroxy-1-phenylethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 154474836
8-ethoxy-N-(4-iodophenyl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 110659980
8-ethoxy-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 90090266
8-[(2-fluoro-6-methylphenyl)methoxy]-N-[(1R)-2-hydroxy-1-phenylethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 90090393
(2S)-4-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-4-oxo-2-phenylbutanoic acid
CID 147175818
methyl 3-(1-phenylpropylcarbamoyl)benzoate
CID 43911594

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(1S)-1-[(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]propyl]benzoate?
The IUPAC name of methyl 3-[(1S)-1-[(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]propyl]benzoate (CID 163745270) is methyl 3-[(1S)-1-[(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]propyl]benzoate.
What is the SMILES notation for methyl 3-[(1S)-1-[(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]propyl]benzoate?
The canonical SMILES for methyl 3-[(1S)-1-[(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]propyl]benzoate is CCOc1cccn2c(C(=O)N[C@@H](CC)c3cccc(C(=O)OC)c3)c(C)nc12.
What is the InChIKey of methyl 3-[(1S)-1-[(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]propyl]benzoate?
The InChIKey is LLHPIWDUENIDME-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-5-17(15-9-7-10-16(13-15)22(27)28-4)24-21(26)19-14(3)23-20-18(29-6-2)11-8-12-25(19)20/h7-13,17H,5-6H2,1-4H3,(H,24,26)/t17-/m0/s1.
What are the key properties of methyl 3-[(1S)-1-[(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]propyl]benzoate?
methyl 3-[(1S)-1-[(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]propyl]benzoate has a molecular weight of 395.46 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(1S)-1-[(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]propyl]benzoate is sourced from PubChem (CID 163745270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).