6-[2-(2-chloro-6-fluoro-3-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2-chloro-6-fluorophenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2,6-dichlorophenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2,6-difluorophenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2-methoxyphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid

C99H78Cl4F8N12O13 — CID 159837140

IUPAC6-[2-(2-chloro-6-fluoro-3-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2-chloro-6-fluorophenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2,6-dichlorophenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2,6-difluorophenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2-methoxyphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid
SMILESCOc1ccccc1CCc1ccc2nccn2c1C(=O)O.Cc1ccc(F)c(CCc2ccc3nccn3c2C(=O)O)c1Cl.O=C(O)c1c(CCc2c(Cl)cccc2Cl)ccc2nccn12.O=C(O)c1c(CCc2c(F)cccc2Cl)ccc2nccn12.O=C(O)c1c(CCc2c(F)cccc2F)ccc2nccn12.O=C(O)c1c(CCc2cc(C(F)(F)F)ccc2F)ccc2nccn12
InChIInChI=1S/C17H14ClFN2O2.C17H12F4N2O2.C17H16N2O3.C16H12Cl2N2O2.C16H12ClFN2O2.C16H12F2N2O2/c1-10-2-6-13(19)12(15(10)18)5-3-11-4-7-14-20-8-9-21(14)16(11)17(22)23;18-13-5-4-12(17(19,20)21)9-11(13)2-1-10-3-6-14-22-7-8-23(14)15(10)16(24)25;1-22-14-5-3-2-4-12(14)6-7-13-8-9-15-18-10-11-19(15)16(13)17(20)21;3*17-12-2-1-3-13(18)11(12)6-4-10-5-7-14-19-8-9-20(14)15(10)16(21)22/h2,4,6-9H,3,5H2,1H3,(H,22,23);3-9H,1-2H2,(H,24,25);2-5,8-11H,6-7H2,1H3,(H,20,21);3*1-3,5,7-9H,4,6H2,(H,21,22)
InChIKeyNOFMVSOSEHTIPD-UHFFFAOYSA-N
MW1937.58 g/mol
LogP21.55
Rot. Bonds25

About 6-[2-(2-chloro-6-fluoro-3-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2-chloro-6-fluorophenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2,6-dichlorophenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2,6-difluorophenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2-methoxyphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid

6-[2-(2-chloro-6-fluoro-3-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2-chloro-6-fluorophenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2,6-dichlorophenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2,6-difluorophenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2-methoxyphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid (PubChem CID 159837140) has the molecular formula C99H78Cl4F8N12O13 and a molecular weight of 1937.58 g/mol. Its IUPAC name is 6-[2-(2-chloro-6-fluoro-3-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2-chloro-6-fluorophenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2,6-dichlorophenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2,6-difluorophenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2-methoxyphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name6-[2-(2-chloro-6-fluoro-3-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2-chloro-6-fluorophenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2,6-dichlorophenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2,6-difluorophenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2-methoxyphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid
PubChem CID159837140
Molecular FormulaC99H78Cl4F8N12O13
Molecular Weight1937.58 g/mol
Exact Mass1934.44
IUPAC Name6-[2-(2-chloro-6-fluoro-3-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2-chloro-6-fluorophenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2,6-dichlorophenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2,6-difluorophenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2-methoxyphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid
SMILESCOc1ccccc1CCc1ccc2nccn2c1C(=O)O.Cc1ccc(F)c(CCc2ccc3nccn3c2C(=O)O)c1Cl.O=C(O)c1c(CCc2c(Cl)cccc2Cl)ccc2nccn12.O=C(O)c1c(CCc2c(F)cccc2Cl)ccc2nccn12.O=C(O)c1c(CCc2c(F)cccc2F)ccc2nccn12.O=C(O)c1c(CCc2cc(C(F)(F)F)ccc2F)ccc2nccn12
InChIInChI=1S/C17H14ClFN2O2.C17H12F4N2O2.C17H16N2O3.C16H12Cl2N2O2.C16H12ClFN2O2.C16H12F2N2O2/c1-10-2-6-13(19)12(15(10)18)5-3-11-4-7-14-20-8-9-21(14)16(11)17(22)23;18-13-5-4-12(17(19,20)21)9-11(13)2-1-10-3-6-14-22-7-8-23(14)15(10)16(24)25;1-22-14-5-3-2-4-12(14)6-7-13-8-9-15-18-10-11-19(15)16(13)17(20)21;3*17-12-2-1-3-13(18)11(12)6-4-10-5-7-14-19-8-9-20(14)15(10)16(21)22/h2,4,6-9H,3,5H2,1H3,(H,22,23);3-9H,1-2H2,(H,24,25);2-5,8-11H,6-7H2,1H3,(H,20,21);3*1-3,5,7-9H,4,6H2,(H,21,22)
InChIKeyNOFMVSOSEHTIPD-UHFFFAOYSA-N
XLogP21.55
TPSA336.83 Ų
H-Bond Donors6
H-Bond Acceptors19
Rotatable Bonds25
Heavy Atoms136
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001937.58
LogP ≤ 521.55
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1019

Analyze 6-[2-(2-chloro-6-fluoro-3-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2-chloro-6-fluorophenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2,6-dichlorophenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2,6-difluorophenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2-methoxyphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-chloro-6-fluoro-3-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2-chloro-6-fluorophenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2,6-dichlorophenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2,6-difluorophenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2-methoxyphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid?
The IUPAC name of 6-[2-(2-chloro-6-fluoro-3-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2-chloro-6-fluorophenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2,6-dichlorophenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2,6-difluorophenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2-methoxyphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid (CID 159837140) is 6-[2-(2-chloro-6-fluoro-3-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2-chloro-6-fluorophenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2,6-dichlorophenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2,6-difluorophenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2-methoxyphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid.
What is the SMILES notation for 6-[2-(2-chloro-6-fluoro-3-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2-chloro-6-fluorophenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2,6-dichlorophenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2,6-difluorophenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2-methoxyphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid?
The canonical SMILES for 6-[2-(2-chloro-6-fluoro-3-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2-chloro-6-fluorophenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2,6-dichlorophenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2,6-difluorophenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2-methoxyphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid is COc1ccccc1CCc1ccc2nccn2c1C(=O)O.Cc1ccc(F)c(CCc2ccc3nccn3c2C(=O)O)c1Cl.O=C(O)c1c(CCc2c(Cl)cccc2Cl)ccc2nccn12.O=C(O)c1c(CCc2c(F)cccc2Cl)ccc2nccn12.O=C(O)c1c(CCc2c(F)cccc2F)ccc2nccn12.O=C(O)c1c(CCc2cc(C(F)(F)F)ccc2F)ccc2nccn12.
What is the InChIKey of 6-[2-(2-chloro-6-fluoro-3-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2-chloro-6-fluorophenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2,6-dichlorophenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2,6-difluorophenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2-methoxyphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid?
The InChIKey is NOFMVSOSEHTIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN2O2.C17H12F4N2O2.C17H16N2O3.C16H12Cl2N2O2.C16H12ClFN2O2.C16H12F2N2O2/c1-10-2-6-13(19)12(15(10)18)5-3-11-4-7-14-20-8-9-21(14)16(11)17(22)23;18-13-5-4-12(17(19,20)21)9-11(13)2-1-10-3-6-14-22-7-8-23(14)15(10)16(24)25;1-22-14-5-3-2-4-12(14)6-7-13-8-9-15-18-10-11-19(15)16(13)17(20)21;3*17-12-2-1-3-13(18)11(12)6-4-10-5-7-14-19-8-9-20(14)15(10)16(21)22/h2,4,6-9H,3,5H2,1H3,(H,22,23);3-9H,1-2H2,(H,24,25);2-5,8-11H,6-7H2,1H3,(H,20,21);3*1-3,5,7-9H,4,6H2,(H,21,22).
What are the key properties of 6-[2-(2-chloro-6-fluoro-3-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2-chloro-6-fluorophenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2,6-dichlorophenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2,6-difluorophenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2-methoxyphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid?
6-[2-(2-chloro-6-fluoro-3-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2-chloro-6-fluorophenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2,6-dichlorophenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2,6-difluorophenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2-methoxyphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid has a molecular weight of 1937.58 g/mol, XLogP of 21.55, 25 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-chloro-6-fluoro-3-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2-chloro-6-fluorophenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2,6-dichlorophenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2,6-difluorophenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2-methoxyphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid is sourced from PubChem (CID 159837140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).