ethyl 7-(1-hydroxyethyl)imidazo[1,2-a]pyridine-3-carboxylate;7-(1-hydroxyethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;methane

C23H28N4O6 — CID 157258502

IUPACethyl 7-(1-hydroxyethyl)imidazo[1,2-a]pyridine-3-carboxylate;7-(1-hydroxyethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;methane
SMILESC.CC(O)c1ccn2c(C(=O)O)cnc2c1.CCOC(=O)c1cnc2cc(C(C)O)ccn12
InChIInChI=1S/C12H14N2O3.C10H10N2O3.CH4/c1-3-17-12(16)10-7-13-11-6-9(8(2)15)4-5-14(10)11;1-6(13)7-2-3-12-8(10(14)15)5-11-9(12)4-7;/h4-8,15H,3H2,1-2H3;2-6,13H,1H3,(H,14,15);1H4
InChIKeyAXEFSYDFSHIFHY-UHFFFAOYSA-N
MW456.50 g/mol
LogP3.29
Rot. Bonds5

About ethyl 7-(1-hydroxyethyl)imidazo[1,2-a]pyridine-3-carboxylate;7-(1-hydroxyethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;methane

ethyl 7-(1-hydroxyethyl)imidazo[1,2-a]pyridine-3-carboxylate;7-(1-hydroxyethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;methane (PubChem CID 157258502) has the molecular formula C23H28N4O6 and a molecular weight of 456.50 g/mol. Its IUPAC name is ethyl 7-(1-hydroxyethyl)imidazo[1,2-a]pyridine-3-carboxylate;7-(1-hydroxyethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;methane.

Molecular Properties

Compound Nameethyl 7-(1-hydroxyethyl)imidazo[1,2-a]pyridine-3-carboxylate;7-(1-hydroxyethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;methane
PubChem CID157258502
Molecular FormulaC23H28N4O6
Molecular Weight456.50 g/mol
Exact Mass456.20
IUPAC Nameethyl 7-(1-hydroxyethyl)imidazo[1,2-a]pyridine-3-carboxylate;7-(1-hydroxyethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;methane
SMILESC.CC(O)c1ccn2c(C(=O)O)cnc2c1.CCOC(=O)c1cnc2cc(C(C)O)ccn12
InChIInChI=1S/C12H14N2O3.C10H10N2O3.CH4/c1-3-17-12(16)10-7-13-11-6-9(8(2)15)4-5-14(10)11;1-6(13)7-2-3-12-8(10(14)15)5-11-9(12)4-7;/h4-8,15H,3H2,1-2H3;2-6,13H,1H3,(H,14,15);1H4
InChIKeyAXEFSYDFSHIFHY-UHFFFAOYSA-N
XLogP3.29
TPSA138.66 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.50
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

Ethyl 7-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 860187
Benzyl 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate
CID 57384112
Ethyl 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate
CID 682232
Benzyl 2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylate
CID 118706489
Ethyl 7-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propylimidazo[1,2-c]pyrimidine-3-carboxylate
CID 11189011
7-[2-(6-Fluoro-pyridin-2-yl)-imidazol-1-ylmethyl]-8-propyl-imidazo[1,2-c]pyrimidine-2-carboxylic acid ethyl ester
CID 11361822
US9884868, Example 274C''
CID 122510556
Ethyl 3-{[(2-phenylimidazo[1,2-a]pyridin-3-yl)carbamoyl]amino} imidazo[1,2-a]pyridine-2-carboxylate
CID 117967532
US11673894, Ex. No. 11
CID 139508836
Theophylline, 7-(2-hydroxy-3-(N-(2-hydroxyethyl)-N-methylamino)propyl)-, diisonicotinate (ester)
CID 3040271
3-Ethyl imidazo(1,2-a)pyridine-3,6-dicarboxylate
CID 69285216
Ethyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine-3-carboxylate
CID 71280674

Frequently Asked Questions

What is the IUPAC name of ethyl 7-(1-hydroxyethyl)imidazo[1,2-a]pyridine-3-carboxylate;7-(1-hydroxyethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;methane?
The IUPAC name of ethyl 7-(1-hydroxyethyl)imidazo[1,2-a]pyridine-3-carboxylate;7-(1-hydroxyethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;methane (CID 157258502) is ethyl 7-(1-hydroxyethyl)imidazo[1,2-a]pyridine-3-carboxylate;7-(1-hydroxyethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;methane.
What is the SMILES notation for ethyl 7-(1-hydroxyethyl)imidazo[1,2-a]pyridine-3-carboxylate;7-(1-hydroxyethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;methane?
The canonical SMILES for ethyl 7-(1-hydroxyethyl)imidazo[1,2-a]pyridine-3-carboxylate;7-(1-hydroxyethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;methane is C.CC(O)c1ccn2c(C(=O)O)cnc2c1.CCOC(=O)c1cnc2cc(C(C)O)ccn12.
What is the InChIKey of ethyl 7-(1-hydroxyethyl)imidazo[1,2-a]pyridine-3-carboxylate;7-(1-hydroxyethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;methane?
The InChIKey is AXEFSYDFSHIFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3.C10H10N2O3.CH4/c1-3-17-12(16)10-7-13-11-6-9(8(2)15)4-5-14(10)11;1-6(13)7-2-3-12-8(10(14)15)5-11-9(12)4-7;/h4-8,15H,3H2,1-2H3;2-6,13H,1H3,(H,14,15);1H4.
What are the key properties of ethyl 7-(1-hydroxyethyl)imidazo[1,2-a]pyridine-3-carboxylate;7-(1-hydroxyethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;methane?
ethyl 7-(1-hydroxyethyl)imidazo[1,2-a]pyridine-3-carboxylate;7-(1-hydroxyethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;methane has a molecular weight of 456.50 g/mol, XLogP of 3.29, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-(1-hydroxyethyl)imidazo[1,2-a]pyridine-3-carboxylate;7-(1-hydroxyethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;methane is sourced from PubChem (CID 157258502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).