lithium;ethyl 7-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridine-3-carboxylate;7-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridine-3-carboxylic acid;methane;hydroxide

C25H33LiN4O7 — CID 157192718

IUPAClithium;ethyl 7-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridine-3-carboxylate;7-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridine-3-carboxylic acid;methane;hydroxide
SMILESC.CC(C)(O)c1ccn2c(C(=O)O)cnc2c1.CCOC(=O)c1cnc2cc(C(C)(C)O)ccn12.[Li+].[OH-]
InChIInChI=1S/C13H16N2O3.C11H12N2O3.CH4.Li.H2O/c1-4-18-12(16)10-8-14-11-7-9(13(2,3)17)5-6-15(10)11;1-11(2,16)7-3-4-13-8(10(14)15)6-12-9(13)5-7;;;/h5-8,17H,4H2,1-3H3;3-6,16H,1-2H3,(H,14,15);1H4;;1H2/q;;;+1;/p-1
InChIKeyAPWSZVRPBHNSHP-UHFFFAOYSA-M
MW508.50 g/mol
LogP0.46
Rot. Bonds5

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

lithium;ethyl 7-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridine-3-carboxylate;7-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridine-3-carboxylic acid;methane;hydroxide (PubChem CID 157192718) has the molecular formula C25H33LiN4O7 and a molecular weight of 508.50 g/mol. Its IUPAC name is lithium;ethyl 7-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridine-3-carboxylate;7-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridine-3-carboxylic acid;methane;hydroxide.

Molecular Properties

Compound Namelithium;ethyl 7-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridine-3-carboxylate;7-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridine-3-carboxylic acid;methane;hydroxide
PubChem CID157192718
Molecular FormulaC25H33LiN4O7
Molecular Weight508.50 g/mol
Exact Mass508.25
IUPAC Namelithium;ethyl 7-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridine-3-carboxylate;7-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridine-3-carboxylic acid;methane;hydroxide
SMILESC.CC(C)(O)c1ccn2c(C(=O)O)cnc2c1.CCOC(=O)c1cnc2cc(C(C)(C)O)ccn12.[Li+].[OH-]
InChIInChI=1S/C13H16N2O3.C11H12N2O3.CH4.Li.H2O/c1-4-18-12(16)10-8-14-11-7-9(13(2,3)17)5-6-15(10)11;1-11(2,16)7-3-4-13-8(10(14)15)6-12-9(13)5-7;;;/h5-8,17H,4H2,1-3H3;3-6,16H,1-2H3,(H,14,15);1H4;;1H2/q;;;+1;/p-1
InChIKeyAPWSZVRPBHNSHP-UHFFFAOYSA-M
XLogP0.46
TPSA168.66 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.50
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze lithium;ethyl 7-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridine-3-carboxylate;7-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridine-3-carboxylic acid;methane;hydroxide with MolForge

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Launch Full Analysis

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
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
(2-Ethylphenyl)methyl 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate
CID 71456440
Ethyl 3-{[(2-phenylimidazo[1,2-a]pyridin-3-yl)carbamoyl]amino} imidazo[1,2-a]pyridine-2-carboxylate
CID 117967532
US9981944, Example 67
CID 122478454
US11673894, Ex. No. 11
CID 139508836
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 lithium;ethyl 7-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridine-3-carboxylate;7-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridine-3-carboxylic acid;methane;hydroxide?
The IUPAC name of lithium;ethyl 7-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridine-3-carboxylate;7-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridine-3-carboxylic acid;methane;hydroxide (CID 157192718) is lithium;ethyl 7-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridine-3-carboxylate;7-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridine-3-carboxylic acid;methane;hydroxide.
What is the SMILES notation for lithium;ethyl 7-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridine-3-carboxylate;7-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridine-3-carboxylic acid;methane;hydroxide?
The canonical SMILES for lithium;ethyl 7-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridine-3-carboxylate;7-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridine-3-carboxylic acid;methane;hydroxide is C.CC(C)(O)c1ccn2c(C(=O)O)cnc2c1.CCOC(=O)c1cnc2cc(C(C)(C)O)ccn12.[Li+].[OH-].
What is the InChIKey of lithium;ethyl 7-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridine-3-carboxylate;7-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridine-3-carboxylic acid;methane;hydroxide?
The InChIKey is APWSZVRPBHNSHP-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H16N2O3.C11H12N2O3.CH4.Li.H2O/c1-4-18-12(16)10-8-14-11-7-9(13(2,3)17)5-6-15(10)11;1-11(2,16)7-3-4-13-8(10(14)15)6-12-9(13)5-7;;;/h5-8,17H,4H2,1-3H3;3-6,16H,1-2H3,(H,14,15);1H4;;1H2/q;;;+1;/p-1.
What are the key properties of lithium;ethyl 7-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridine-3-carboxylate;7-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridine-3-carboxylic acid;methane;hydroxide?
lithium;ethyl 7-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridine-3-carboxylate;7-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridine-3-carboxylic acid;methane;hydroxide has a molecular weight of 508.50 g/mol, XLogP of 0.46, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;ethyl 7-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridine-3-carboxylate;7-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridine-3-carboxylic acid;methane;hydroxide is sourced from PubChem (CID 157192718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).