ethyl (6S)-2-ethyl-6-hydroxy-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate

C12H18N2O3 — CID 176613994

IUPACethyl (6S)-2-ethyl-6-hydroxy-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(CC)nc2n1C[C@@H](O)CC2
InChIInChI=1S/C12H18N2O3/c1-3-9-11(12(16)17-4-2)14-7-8(15)5-6-10(14)13-9/h8,15H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyFUZOQHUKZHPNKX-QMMMGPOBSA-N
MW238.29 g/mol
LogP0.93
Rot. Bonds3

About ethyl (6S)-2-ethyl-6-hydroxy-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate

ethyl (6S)-2-ethyl-6-hydroxy-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate (PubChem CID 176613994) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is ethyl (6S)-2-ethyl-6-hydroxy-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl (6S)-2-ethyl-6-hydroxy-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate
PubChem CID176613994
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Nameethyl (6S)-2-ethyl-6-hydroxy-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(CC)nc2n1C[C@@H](O)CC2
InChIInChI=1S/C12H18N2O3/c1-3-9-11(12(16)17-4-2)14-7-8(15)5-6-10(14)13-9/h8,15H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyFUZOQHUKZHPNKX-QMMMGPOBSA-N
XLogP0.93
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-tert-butyl-5H,6H,7H,8H-imidazo(1,2-a)pyridine-3-carboxylic acid
CID 83642567
Ethyl 3-(ethoxymethyl)-2-methyl-5-prop-2-enylimidazole-4-carboxylate
CID 11010453
Olmesartan impurity 98
CID 57774272
Tert-butyl 4-[5-ethoxycarbonyl-1-ethyl-4-(2,2,2-trifluoro-1-hydroxyethyl)imidazol-2-yl]piperazine-1-carboxylate
CID 70860144
Methyl 8-methyl-3-(trifluoromethyl)-5,6-dihydroimidazo[1,5-a]pyrazine-1-carboxylate
CID 141322299
4-[1-But-2-ynyl-5-ethoxycarbonyl-4-(2,2,2-trifluoro-1-hydroxyethyl)imidazol-2-yl]piperazine-1-carboxylic acid
CID 152562665
methyl (6S)-6-(1-fluoropropyl)-3-methyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]oxazepine-1-carboxylate
CID 162230934
(7S)-2-ethyl-7-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid
CID 176614028
(7R)-2-ethyl-7-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid
CID 176614050
ethyl (7R)-2-ethyl-7-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate
CID 176614064
Ethyl 2-ethyl-7-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate
CID 176614076
ethyl (7S)-2-ethyl-7-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate
CID 176614081

Frequently Asked Questions

What is the IUPAC name of ethyl (6S)-2-ethyl-6-hydroxy-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate?
The IUPAC name of ethyl (6S)-2-ethyl-6-hydroxy-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate (CID 176613994) is ethyl (6S)-2-ethyl-6-hydroxy-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl (6S)-2-ethyl-6-hydroxy-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl (6S)-2-ethyl-6-hydroxy-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate is CCOC(=O)c1c(CC)nc2n1C[C@@H](O)CC2.
What is the InChIKey of ethyl (6S)-2-ethyl-6-hydroxy-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate?
The InChIKey is FUZOQHUKZHPNKX-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-3-9-11(12(16)17-4-2)14-7-8(15)5-6-10(14)13-9/h8,15H,3-7H2,1-2H3/t8-/m0/s1.
What are the key properties of ethyl (6S)-2-ethyl-6-hydroxy-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate?
ethyl (6S)-2-ethyl-6-hydroxy-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate has a molecular weight of 238.29 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (6S)-2-ethyl-6-hydroxy-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate is sourced from PubChem (CID 176613994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).