lithium;3-chloro-6-(cyclopenten-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;methyl 3-chloro-6-(cyclopenten-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate;hydroxide

C29H23Cl2F6LiN4O5 — CID 158645012

IUPAClithium;3-chloro-6-(cyclopenten-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;methyl 3-chloro-6-(cyclopenten-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate;hydroxide
SMILESCOC(=O)c1nc2c(C(F)(F)F)cc(C3=CCCC3)cn2c1Cl.O=C(O)c1nc2c(C(F)(F)F)cc(C3=CCCC3)cn2c1Cl.[Li+].[OH-]
InChIInChI=1S/C15H12ClF3N2O2.C14H10ClF3N2O2.Li.H2O/c1-23-14(22)11-12(16)21-7-9(8-4-2-3-5-8)6-10(13(21)20-11)15(17,18)19;15-11-10(13(21)22)19-12-9(14(16,17)18)5-8(6-20(11)12)7-3-1-2-4-7;;/h4,6-7H,2-3,5H2,1H3;3,5-6H,1-2,4H2,(H,21,22);;1H2/q;;+1;/p-1
InChIKeyIAVVZPQZEBQGOW-UHFFFAOYSA-M
MW699.36 g/mol
LogP5.46
Rot. Bonds4

About lithium;3-chloro-6-(cyclopenten-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;methyl 3-chloro-6-(cyclopenten-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate;hydroxide

lithium;3-chloro-6-(cyclopenten-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;methyl 3-chloro-6-(cyclopenten-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate;hydroxide (PubChem CID 158645012) has the molecular formula C29H23Cl2F6LiN4O5 and a molecular weight of 699.36 g/mol. Its IUPAC name is lithium;3-chloro-6-(cyclopenten-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;methyl 3-chloro-6-(cyclopenten-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate;hydroxide.

Molecular Properties

Compound Namelithium;3-chloro-6-(cyclopenten-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;methyl 3-chloro-6-(cyclopenten-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate;hydroxide
PubChem CID158645012
Molecular FormulaC29H23Cl2F6LiN4O5
Molecular Weight699.36 g/mol
Exact Mass698.11
IUPAC Namelithium;3-chloro-6-(cyclopenten-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;methyl 3-chloro-6-(cyclopenten-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate;hydroxide
SMILESCOC(=O)c1nc2c(C(F)(F)F)cc(C3=CCCC3)cn2c1Cl.O=C(O)c1nc2c(C(F)(F)F)cc(C3=CCCC3)cn2c1Cl.[Li+].[OH-]
InChIInChI=1S/C15H12ClF3N2O2.C14H10ClF3N2O2.Li.H2O/c1-23-14(22)11-12(16)21-7-9(8-4-2-3-5-8)6-10(13(21)20-11)15(17,18)19;15-11-10(13(21)22)19-12-9(14(16,17)18)5-8(6-20(11)12)7-3-1-2-4-7;;/h4,6-7H,2-3,5H2,1H3;3,5-6H,1-2,4H2,(H,21,22);;1H2/q;;+1;/p-1
InChIKeyIAVVZPQZEBQGOW-UHFFFAOYSA-M
XLogP5.46
TPSA128.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500699.36
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze lithium;3-chloro-6-(cyclopenten-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;methyl 3-chloro-6-(cyclopenten-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate;hydroxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US9884868, Example 274C''
CID 122510556
3-[(3S,4S)-1-[3-chloro-6-(2-methylpropyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-3-hydroxypiperidin-4-yl]-1,3-oxazolidin-2-one
CID 46870814
3-(1-{[3-Chloro-6-propyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]carbonyl}-4-piperidinyl)-1,3-oxazolidin-2-one
CID 46871332
3-(1-{[3-Chloro-6-(2-methylpropyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]carbonyl}-4-piperidinyl)-1,3-oxazolidin-2-one
CID 46871408
3-[1-[6-Butyl-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 46871409
3-Chloro-6-cyclopent-1-enyl-8-trifluoromethyl-imidazo[1,2-a]pyridine-2-carboxylic acid methyl ester
CID 59443817
3-Chloro-6-cyclopent-1-enyl-8-trifluoromethyl-imidazo[1,2-a]pyridine-2-carboxylic acid
CID 59443837
Methyl 3-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate
CID 59443895
3-[1-[3-Chloro-6-(cyclopenten-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 59547274
Methyl 3-chloro-6-propan-2-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate
CID 67084858
Methyl 3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate
CID 67084869
3-Chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
CID 67084900

Frequently Asked Questions

What is the IUPAC name of lithium;3-chloro-6-(cyclopenten-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;methyl 3-chloro-6-(cyclopenten-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate;hydroxide?
The IUPAC name of lithium;3-chloro-6-(cyclopenten-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;methyl 3-chloro-6-(cyclopenten-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate;hydroxide (CID 158645012) is lithium;3-chloro-6-(cyclopenten-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;methyl 3-chloro-6-(cyclopenten-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate;hydroxide.
What is the SMILES notation for lithium;3-chloro-6-(cyclopenten-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;methyl 3-chloro-6-(cyclopenten-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate;hydroxide?
The canonical SMILES for lithium;3-chloro-6-(cyclopenten-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;methyl 3-chloro-6-(cyclopenten-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate;hydroxide is COC(=O)c1nc2c(C(F)(F)F)cc(C3=CCCC3)cn2c1Cl.O=C(O)c1nc2c(C(F)(F)F)cc(C3=CCCC3)cn2c1Cl.[Li+].[OH-].
What is the InChIKey of lithium;3-chloro-6-(cyclopenten-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;methyl 3-chloro-6-(cyclopenten-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate;hydroxide?
The InChIKey is IAVVZPQZEBQGOW-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H12ClF3N2O2.C14H10ClF3N2O2.Li.H2O/c1-23-14(22)11-12(16)21-7-9(8-4-2-3-5-8)6-10(13(21)20-11)15(17,18)19;15-11-10(13(21)22)19-12-9(14(16,17)18)5-8(6-20(11)12)7-3-1-2-4-7;;/h4,6-7H,2-3,5H2,1H3;3,5-6H,1-2,4H2,(H,21,22);;1H2/q;;+1;/p-1.
What are the key properties of lithium;3-chloro-6-(cyclopenten-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;methyl 3-chloro-6-(cyclopenten-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate;hydroxide?
lithium;3-chloro-6-(cyclopenten-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;methyl 3-chloro-6-(cyclopenten-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate;hydroxide has a molecular weight of 699.36 g/mol, XLogP of 5.46, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;3-chloro-6-(cyclopenten-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;methyl 3-chloro-6-(cyclopenten-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate;hydroxide is sourced from PubChem (CID 158645012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).