6-[2-[4-(1,1-difluoroethyl)phenyl]ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2,4-difluoro-5-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(4-ethynylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2-fluoro-4-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(4-fluoro-3-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(3-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid

C104H90F6N12O12 — CID 158727613

About 6-[2-[4-(1,1-difluoroethyl)phenyl]ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2,4-difluoro-5-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(4-ethynylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2-fluoro-4-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(4-fluoro-3-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(3-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid

6-[2-[4-(1,1-difluoroethyl)phenyl]ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2,4-difluoro-5-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(4-ethynylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2-fluoro-4-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(4-fluoro-3-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(3-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid (PubChem CID 158727613) has the molecular formula C104H90F6N12O12 and a molecular weight of 1813.92 g/mol. Its IUPAC name is 6-[2-[4-(1,1-difluoroethyl)phenyl]ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2,4-difluoro-5-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(4-ethynylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2-fluoro-4-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(4-fluoro-3-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(3-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid.

Molecular Properties

• Compound Name: 6-[2-[4-(1,1-difluoroethyl)phenyl]ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2,4-difluoro-5-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(4-ethynylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2-fluoro-4-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(4-fluoro-3-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(3-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid
• PubChem CID: 158727613
• Molecular Formula: C104H90F6N12O12
• Molecular Weight: 1813.92 g/mol
• Exact Mass: 1812.67
• IUPAC Name: 6-[2-[4-(1,1-difluoroethyl)phenyl]ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2,4-difluoro-5-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(4-ethynylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2-fluoro-4-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(4-fluoro-3-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(3-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid
• SMILES: C#Cc1ccc(CCc2ccc3nccn3c2C(=O)O)cc1.CC(F)(F)c1ccc(CCc2ccc3nccn3c2C(=O)O)cc1.Cc1cc(CCc2ccc3nccn3c2C(=O)O)c(F)cc1F.Cc1cc(CCc2ccc3nccn3c2C(=O)O)ccc1F.Cc1ccc(CCc2ccc3nccn3c2C(=O)O)c(F)c1.Cc1cccc(CCc2ccc3nccn3c2C(=O)O)c1
• InChI: InChI=1S/C18H16F2N2O2.C18H14N2O2.C17H14F2N2O2.2C17H15FN2O2.C17H16N2O2/c1-18(19,20)14-7-3-12(4-8-14)2-5-13-6-9-15-21-10-11-22(15)16(13)17(23)24;1-2-13-3-5-14(6-4-13)7-8-15-9-10-16-19-11-12-20(16)17(15)18(21)22;1-10-8-12(14(19)9-13(10)18)3-2-11-4-5-15-20-6-7-21(15)16(11)17(22)23;1-11-10-12(3-6-14(11)18)2-4-13-5-7-15-19-8-9-20(15)16(13)17(21)22;1-11-2-3-12(14(18)10-11)4-5-13-6-7-15-19-8-9-20(15)16(13)17(21)22;1-12-3-2-4-13(11-12)5-6-14-7-8-15-18-9-10-19(15)16(14)17(20)21/h3-4,6-11H,2,5H2,1H3,(H,23,24);1,3-6,9-12H,7-8H2,(H,21,22);4-9H,2-3H2,1H3,(H,22,23);3,5-10H,2,4H2,1H3,(H,21,22);2-3,6-10H,4-5H2,1H3,(H,21,22);2-4,7-11H,5-6H2,1H3,(H,20,21)
• InChIKey: IKRZQSWCEGTRGA-UHFFFAOYSA-N
• XLogP: 19.79
• TPSA: 327.60 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 18
• Rotatable Bonds: 25
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1813.92
LogP ≤ 5	19.79
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[2-[4-(1,1-difluoroethyl)phenyl]ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2,4-difluoro-5-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(4-ethynylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2-fluoro-4-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(4-fluoro-3-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(3-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid?

The IUPAC name of 6-[2-[4-(1,1-difluoroethyl)phenyl]ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2,4-difluoro-5-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(4-ethynylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2-fluoro-4-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(4-fluoro-3-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(3-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid (CID 158727613) is 6-[2-[4-(1,1-difluoroethyl)phenyl]ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2,4-difluoro-5-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(4-ethynylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2-fluoro-4-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(4-fluoro-3-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(3-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid.

What is the SMILES notation for 6-[2-[4-(1,1-difluoroethyl)phenyl]ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2,4-difluoro-5-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(4-ethynylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2-fluoro-4-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(4-fluoro-3-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(3-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid?

The canonical SMILES for 6-[2-[4-(1,1-difluoroethyl)phenyl]ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2,4-difluoro-5-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(4-ethynylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2-fluoro-4-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(4-fluoro-3-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(3-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid is C#Cc1ccc(CCc2ccc3nccn3c2C(=O)O)cc1.CC(F)(F)c1ccc(CCc2ccc3nccn3c2C(=O)O)cc1.Cc1cc(CCc2ccc3nccn3c2C(=O)O)c(F)cc1F.Cc1cc(CCc2ccc3nccn3c2C(=O)O)ccc1F.Cc1ccc(CCc2ccc3nccn3c2C(=O)O)c(F)c1.Cc1cccc(CCc2ccc3nccn3c2C(=O)O)c1.

What is the InChIKey of 6-[2-[4-(1,1-difluoroethyl)phenyl]ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2,4-difluoro-5-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(4-ethynylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2-fluoro-4-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(4-fluoro-3-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(3-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid?

The InChIKey is IKRZQSWCEGTRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N2O2.C18H14N2O2.C17H14F2N2O2.2C17H15FN2O2.C17H16N2O2/c1-18(19,20)14-7-3-12(4-8-14)2-5-13-6-9-15-21-10-11-22(15)16(13)17(23)24;1-2-13-3-5-14(6-4-13)7-8-15-9-10-16-19-11-12-20(16)17(15)18(21)22;1-10-8-12(14(19)9-13(10)18)3-2-11-4-5-15-20-6-7-21(15)16(11)17(22)23;1-11-10-12(3-6-14(11)18)2-4-13-5-7-15-19-8-9-20(15)16(13)17(21)22;1-11-2-3-12(14(18)10-11)4-5-13-6-7-15-19-8-9-20(15)16(13)17(21)22;1-12-3-2-4-13(11-12)5-6-14-7-8-15-18-9-10-19(15)16(14)17(20)21/h3-4,6-11H,2,5H2,1H3,(H,23,24);1,3-6,9-12H,7-8H2,(H,21,22);4-9H,2-3H2,1H3,(H,22,23);3,5-10H,2,4H2,1H3,(H,21,22);2-3,6-10H,4-5H2,1H3,(H,21,22);2-4,7-11H,5-6H2,1H3,(H,20,21).

What are the key properties of 6-[2-[4-(1,1-difluoroethyl)phenyl]ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2,4-difluoro-5-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(4-ethynylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2-fluoro-4-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(4-fluoro-3-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(3-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid?

6-[2-[4-(1,1-difluoroethyl)phenyl]ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2,4-difluoro-5-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(4-ethynylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2-fluoro-4-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(4-fluoro-3-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(3-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid has a molecular weight of 1813.92 g/mol, XLogP of 19.79, 25 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-[4-(1,1-difluoroethyl)phenyl]ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2,4-difluoro-5-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(4-ethynylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2-fluoro-4-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(4-fluoro-3-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(3-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid is sourced from PubChem (CID 158727613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).