ethyl 8-hydroxy-2,3-dimethyl-7-[3-(2-methylphenyl)-3-oxopropyl]imidazo[1,2-a]pyridine-6-carboxylate

C22H24N2O4 — CID 69405543

IUPACethyl 8-hydroxy-2,3-dimethyl-7-[3-(2-methylphenyl)-3-oxopropyl]imidazo[1,2-a]pyridine-6-carboxylate
SMILESCCOC(=O)c1cn2c(C)c(C)nc2c(O)c1CCC(=O)c1ccccc1C
InChIInChI=1S/C22H24N2O4/c1-5-28-22(27)18-12-24-15(4)14(3)23-21(24)20(26)17(18)10-11-19(25)16-9-7-6-8-13(16)2/h6-9,12,26H,5,10-11H2,1-4H3
InChIKeyVAABCLCYZPNANR-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.96
Rot. Bonds6

About ethyl 8-hydroxy-2,3-dimethyl-7-[3-(2-methylphenyl)-3-oxopropyl]imidazo[1,2-a]pyridine-6-carboxylate

ethyl 8-hydroxy-2,3-dimethyl-7-[3-(2-methylphenyl)-3-oxopropyl]imidazo[1,2-a]pyridine-6-carboxylate (PubChem CID 69405543) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is ethyl 8-hydroxy-2,3-dimethyl-7-[3-(2-methylphenyl)-3-oxopropyl]imidazo[1,2-a]pyridine-6-carboxylate.

Molecular Properties

Compound Nameethyl 8-hydroxy-2,3-dimethyl-7-[3-(2-methylphenyl)-3-oxopropyl]imidazo[1,2-a]pyridine-6-carboxylate
PubChem CID69405543
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Nameethyl 8-hydroxy-2,3-dimethyl-7-[3-(2-methylphenyl)-3-oxopropyl]imidazo[1,2-a]pyridine-6-carboxylate
SMILESCCOC(=O)c1cn2c(C)c(C)nc2c(O)c1CCC(=O)c1ccccc1C
InChIInChI=1S/C22H24N2O4/c1-5-28-22(27)18-12-24-15(4)14(3)23-21(24)20(26)17(18)10-11-19(25)16-9-7-6-8-13(16)2/h6-9,12,26H,5,10-11H2,1-4H3
InChIKeyVAABCLCYZPNANR-UHFFFAOYSA-N
XLogP3.96
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 8-hydroxy-2,3-dimethyl-7-[3-(2-methylphenyl)-3-oxopropyl]imidazo[1,2-a]pyridine-6-carboxylate with MolForge

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Related Compounds

8-hydroxy-N,N,2,3-tetramethyl-7-[3-(2-methylphenyl)-3-oxopropyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 23730046
3-[6-(3,3-difluoroazetidine-1-carbonyl)-8-hydroxy-2,3-dimethylimidazo[1,2-a]pyridin-7-yl]-1-(2-methylphenyl)propan-1-one
CID 69407130
(1-carbamoylcycloprop-2-en-1-yl) 8-hydroxy-2,3-dimethyl-7-(3-oxo-3-phenylpropyl)imidazo[1,2-a]pyridine-6-carboxylate
CID 91054454
sodium;ethyl 2-methylbenzoate;hydride
CID 174396999
ethyl 4-(2-methylphenyl)-4-oxobutanoate
CID 24727317
ethyl 8-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2,3-dimethyl-7-prop-2-enylimidazo[1,2-a]pyridine-6-carboxylate
CID 69099372
ethyl 2-(2-aminoacetyl)benzoate
CID 18694028
ethyl 6-hydroxy-2-methylimidazo[1,2-a]pyridine-3-carboxylate
CID 131537872
ethane;3-(4-methoxyphenyl)-1-(2-methylphenyl)propan-1-one
CID 145125132
3-(4-aminophenyl)-1-(2-methylphenyl)propan-1-one
CID 116605558
ethyl 2-hydroxybenzoate;formaldehyde
CID 158790120
ethyl 2-(dichloromethyl)imidazo[1,2-a]pyridine-8-carboxylate
CID 59280012

Frequently Asked Questions

What is the IUPAC name of ethyl 8-hydroxy-2,3-dimethyl-7-[3-(2-methylphenyl)-3-oxopropyl]imidazo[1,2-a]pyridine-6-carboxylate?
The IUPAC name of ethyl 8-hydroxy-2,3-dimethyl-7-[3-(2-methylphenyl)-3-oxopropyl]imidazo[1,2-a]pyridine-6-carboxylate (CID 69405543) is ethyl 8-hydroxy-2,3-dimethyl-7-[3-(2-methylphenyl)-3-oxopropyl]imidazo[1,2-a]pyridine-6-carboxylate.
What is the SMILES notation for ethyl 8-hydroxy-2,3-dimethyl-7-[3-(2-methylphenyl)-3-oxopropyl]imidazo[1,2-a]pyridine-6-carboxylate?
The canonical SMILES for ethyl 8-hydroxy-2,3-dimethyl-7-[3-(2-methylphenyl)-3-oxopropyl]imidazo[1,2-a]pyridine-6-carboxylate is CCOC(=O)c1cn2c(C)c(C)nc2c(O)c1CCC(=O)c1ccccc1C.
What is the InChIKey of ethyl 8-hydroxy-2,3-dimethyl-7-[3-(2-methylphenyl)-3-oxopropyl]imidazo[1,2-a]pyridine-6-carboxylate?
The InChIKey is VAABCLCYZPNANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-5-28-22(27)18-12-24-15(4)14(3)23-21(24)20(26)17(18)10-11-19(25)16-9-7-6-8-13(16)2/h6-9,12,26H,5,10-11H2,1-4H3.
What are the key properties of ethyl 8-hydroxy-2,3-dimethyl-7-[3-(2-methylphenyl)-3-oxopropyl]imidazo[1,2-a]pyridine-6-carboxylate?
ethyl 8-hydroxy-2,3-dimethyl-7-[3-(2-methylphenyl)-3-oxopropyl]imidazo[1,2-a]pyridine-6-carboxylate has a molecular weight of 380.44 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-hydroxy-2,3-dimethyl-7-[3-(2-methylphenyl)-3-oxopropyl]imidazo[1,2-a]pyridine-6-carboxylate is sourced from PubChem (CID 69405543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).