3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine;2-methyl-6-phenylimidazo[1,2-a]pyridine;3-methyl-6-phenylimidazo[1,2-a]pyridine;6-phenylimidazo[1,2-a]pyridine;6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine;6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine

C84H62F11N13O3 — CID 161346907

About 3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine;2-methyl-6-phenylimidazo[1,2-a]pyridine;3-methyl-6-phenylimidazo[1,2-a]pyridine;6-phenylimidazo[1,2-a]pyridine;6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine;6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine

3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine;2-methyl-6-phenylimidazo[1,2-a]pyridine;3-methyl-6-phenylimidazo[1,2-a]pyridine;6-phenylimidazo[1,2-a]pyridine;6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine;6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine (PubChem CID 161346907) has the molecular formula C84H62F11N13O3 and a molecular weight of 1510.49 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine;2-methyl-6-phenylimidazo[1,2-a]pyridine;3-methyl-6-phenylimidazo[1,2-a]pyridine;6-phenylimidazo[1,2-a]pyridine;6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine;6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine.

Molecular Properties

• Compound Name: 3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine;2-methyl-6-phenylimidazo[1,2-a]pyridine;3-methyl-6-phenylimidazo[1,2-a]pyridine;6-phenylimidazo[1,2-a]pyridine;6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine;6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine
• PubChem CID: 161346907
• Molecular Formula: C84H62F11N13O3
• Molecular Weight: 1510.49 g/mol
• Exact Mass: 1509.49
• IUPAC Name: 3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine;2-methyl-6-phenylimidazo[1,2-a]pyridine;3-methyl-6-phenylimidazo[1,2-a]pyridine;6-phenylimidazo[1,2-a]pyridine;6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine;6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine
• SMILES: CC(F)(F)c1cnc2ccc(-c3ccc(OC(F)(F)F)cc3)cn12.Cc1cn2cc(-c3ccccc3)ccc2n1.Cc1cnc2ccc(-c3ccccc3)cn12.FC(F)(F)Oc1ccc(-c2ccc3nccn3c2)cc1.FC(F)(F)Oc1ccc(-c2cnc3nccn3c2)cc1.c1ccc(-c2ccc3nccn3c2)cc1
• InChI: InChI=1S/C16H11F5N2O.C14H9F3N2O.2C14H12N2.C13H8F3N3O.C13H10N2/c1-15(17,18)13-8-22-14-7-4-11(9-23(13)14)10-2-5-12(6-3-10)24-16(19,20)21;15-14(16,17)20-12-4-1-10(2-5-12)11-3-6-13-18-7-8-19(13)9-11;1-11-9-16-10-13(7-8-14(16)15-11)12-5-3-2-4-6-12;1-11-9-15-14-8-7-13(10-16(11)14)12-5-3-2-4-6-12;14-13(15,16)20-11-3-1-9(2-4-11)10-7-18-12-17-5-6-19(12)8-10;1-2-4-11(5-3-1)12-6-7-13-14-8-9-15(13)10-12/h2-9H,1H3;1-9H;2*2-10H,1H3;1-8H;1-10H
• InChIKey: VNKRWZXUHRUQJK-UHFFFAOYSA-N
• XLogP: 21.83
• TPSA: 144.38 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 10
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1510.49
LogP ≤ 5	21.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine;2-methyl-6-phenylimidazo[1,2-a]pyridine;3-methyl-6-phenylimidazo[1,2-a]pyridine;6-phenylimidazo[1,2-a]pyridine;6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine;6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine?

The IUPAC name of 3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine;2-methyl-6-phenylimidazo[1,2-a]pyridine;3-methyl-6-phenylimidazo[1,2-a]pyridine;6-phenylimidazo[1,2-a]pyridine;6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine;6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine (CID 161346907) is 3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine;2-methyl-6-phenylimidazo[1,2-a]pyridine;3-methyl-6-phenylimidazo[1,2-a]pyridine;6-phenylimidazo[1,2-a]pyridine;6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine;6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine.

What is the SMILES notation for 3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine;2-methyl-6-phenylimidazo[1,2-a]pyridine;3-methyl-6-phenylimidazo[1,2-a]pyridine;6-phenylimidazo[1,2-a]pyridine;6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine;6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine?

The canonical SMILES for 3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine;2-methyl-6-phenylimidazo[1,2-a]pyridine;3-methyl-6-phenylimidazo[1,2-a]pyridine;6-phenylimidazo[1,2-a]pyridine;6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine;6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine is CC(F)(F)c1cnc2ccc(-c3ccc(OC(F)(F)F)cc3)cn12.Cc1cn2cc(-c3ccccc3)ccc2n1.Cc1cnc2ccc(-c3ccccc3)cn12.FC(F)(F)Oc1ccc(-c2ccc3nccn3c2)cc1.FC(F)(F)Oc1ccc(-c2cnc3nccn3c2)cc1.c1ccc(-c2ccc3nccn3c2)cc1.

What is the InChIKey of 3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine;2-methyl-6-phenylimidazo[1,2-a]pyridine;3-methyl-6-phenylimidazo[1,2-a]pyridine;6-phenylimidazo[1,2-a]pyridine;6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine;6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine?

The InChIKey is VNKRWZXUHRUQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F5N2O.C14H9F3N2O.2C14H12N2.C13H8F3N3O.C13H10N2/c1-15(17,18)13-8-22-14-7-4-11(9-23(13)14)10-2-5-12(6-3-10)24-16(19,20)21;15-14(16,17)20-12-4-1-10(2-5-12)11-3-6-13-18-7-8-19(13)9-11;1-11-9-16-10-13(7-8-14(16)15-11)12-5-3-2-4-6-12;1-11-9-15-14-8-7-13(10-16(11)14)12-5-3-2-4-6-12;14-13(15,16)20-11-3-1-9(2-4-11)10-7-18-12-17-5-6-19(12)8-10;1-2-4-11(5-3-1)12-6-7-13-14-8-9-15(13)10-12/h2-9H,1H3;1-9H;2*2-10H,1H3;1-8H;1-10H.

What are the key properties of 3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine;2-methyl-6-phenylimidazo[1,2-a]pyridine;3-methyl-6-phenylimidazo[1,2-a]pyridine;6-phenylimidazo[1,2-a]pyridine;6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine;6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine?

3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine;2-methyl-6-phenylimidazo[1,2-a]pyridine;3-methyl-6-phenylimidazo[1,2-a]pyridine;6-phenylimidazo[1,2-a]pyridine;6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine;6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine has a molecular weight of 1510.49 g/mol, XLogP of 21.83, 10 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine;2-methyl-6-phenylimidazo[1,2-a]pyridine;3-methyl-6-phenylimidazo[1,2-a]pyridine;6-phenylimidazo[1,2-a]pyridine;6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine;6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 161346907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).