1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]ethanone;2-[2-(2,5-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-[1-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-5-yl]ethanone;2-(3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-1-[1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-yl]ethanone;1-[1-methyl-4-(1-methylimidazol-4-yl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone;1-[1-methyl-4-(5-methyl-2-pyridinyl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone

C116H108F9N27O5S3 — CID 158442581

About 1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]ethanone;2-[2-(2,5-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-[1-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-5-yl]ethanone;2-(3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-1-[1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-yl]ethanone;1-[1-methyl-4-(1-methylimidazol-4-yl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone;1-[1-methyl-4-(5-methyl-2-pyridinyl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone

1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]ethanone;2-[2-(2,5-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-[1-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-5-yl]ethanone;2-(3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-1-[1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-yl]ethanone;1-[1-methyl-4-(1-methylimidazol-4-yl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone;1-[1-methyl-4-(5-methyl-2-pyridinyl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone (PubChem CID 158442581) has the molecular formula C116H108F9N27O5S3 and a molecular weight of 2227.51 g/mol. Its IUPAC name is 1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]ethanone;2-[2-(2,5-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-[1-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-5-yl]ethanone;2-(3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-1-[1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-yl]ethanone;1-[1-methyl-4-(1-methylimidazol-4-yl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone;1-[1-methyl-4-(5-methyl-2-pyridinyl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone.

Molecular Properties

• Compound Name: 1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]ethanone;2-[2-(2,5-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-[1-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-5-yl]ethanone;2-(3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-1-[1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-yl]ethanone;1-[1-methyl-4-(1-methylimidazol-4-yl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone;1-[1-methyl-4-(5-methyl-2-pyridinyl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone
• PubChem CID: 158442581
• Molecular Formula: C116H108F9N27O5S3
• Molecular Weight: 2227.51 g/mol
• Exact Mass: 2225.80
• IUPAC Name: 1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]ethanone;2-[2-(2,5-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-[1-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-5-yl]ethanone;2-(3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-1-[1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-yl]ethanone;1-[1-methyl-4-(1-methylimidazol-4-yl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone;1-[1-methyl-4-(5-methyl-2-pyridinyl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone
• SMILES: Cc1ccc(-c2cnn(C)c2C(=O)CC2CCn3cc(-c4ccccc4)nc3C2)nc1.Cc1nnc(-c2cnn(C)c2C(=O)CC2CCn3cc(-c4cc(F)ccc4F)nc3C2)s1.Cn1cnc(-c2cnn(C)c2C(=O)CC2CCn3cc(-c4ccccc4)nc3C2)c1.Cn1ncc(-c2nc(C(F)(F)F)cs2)c1C(=O)CC1CCn2c(nc(-c3ccccc3)c2F)C1.Cn1ncc(-c2nc(C(F)F)cs2)c1C(=O)CC1CCn2cc(-c3cccc(F)c3)nc2C1
• InChI: InChI=1S/C25H25N5O.C23H19F4N5OS.C23H20F3N5OS.C23H24N6O.C22H20F2N6OS/c1-17-8-9-21(26-14-17)20-15-27-29(2)25(20)23(31)12-18-10-11-30-16-22(28-24(30)13-18)19-6-4-3-5-7-19;1-31-20(15(11-28-31)22-29-17(12-34-22)23(25,26)27)16(33)9-13-7-8-32-18(10-13)30-19(21(32)24)14-5-3-2-4-6-14;1-30-21(16(10-27-30)23-29-18(12-33-23)22(25)26)19(32)7-13-5-6-31-11-17(28-20(31)8-13)14-3-2-4-15(24)9-14;1-27-13-20(24-15-27)18-12-25-28(2)23(18)21(30)10-16-8-9-29-14-19(26-22(29)11-16)17-6-4-3-5-7-17;1-12-27-28-22(32-12)16-10-25-29(2)21(16)19(31)7-13-5-6-30-11-18(26-20(30)8-13)15-9-14(23)3-4-17(15)24/h3-9,14-16,18H,10-13H2,1-2H3;2-6,11-13H,7-10H2,1H3;2-4,9-13,22H,5-8H2,1H3;3-7,12-16H,8-11H2,1-2H3;3-4,9-11,13H,5-8H2,1-2H3
• InChIKey: HCZNNVCNIOMVAM-UHFFFAOYSA-N
• XLogP: 22.95
• TPSA: 345.82 Ų
• H-Bond Acceptors: 35
• Rotatable Bonds: 26
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2227.51
LogP ≤ 5	22.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]ethanone;2-[2-(2,5-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-[1-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-5-yl]ethanone;2-(3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-1-[1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-yl]ethanone;1-[1-methyl-4-(1-methylimidazol-4-yl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone;1-[1-methyl-4-(5-methyl-2-pyridinyl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone?

The IUPAC name of 1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]ethanone;2-[2-(2,5-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-[1-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-5-yl]ethanone;2-(3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-1-[1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-yl]ethanone;1-[1-methyl-4-(1-methylimidazol-4-yl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone;1-[1-methyl-4-(5-methyl-2-pyridinyl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone (CID 158442581) is 1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]ethanone;2-[2-(2,5-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-[1-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-5-yl]ethanone;2-(3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-1-[1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-yl]ethanone;1-[1-methyl-4-(1-methylimidazol-4-yl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone;1-[1-methyl-4-(5-methyl-2-pyridinyl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone.

What is the SMILES notation for 1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]ethanone;2-[2-(2,5-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-[1-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-5-yl]ethanone;2-(3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-1-[1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-yl]ethanone;1-[1-methyl-4-(1-methylimidazol-4-yl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone;1-[1-methyl-4-(5-methyl-2-pyridinyl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone?

The canonical SMILES for 1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]ethanone;2-[2-(2,5-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-[1-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-5-yl]ethanone;2-(3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-1-[1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-yl]ethanone;1-[1-methyl-4-(1-methylimidazol-4-yl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone;1-[1-methyl-4-(5-methyl-2-pyridinyl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone is Cc1ccc(-c2cnn(C)c2C(=O)CC2CCn3cc(-c4ccccc4)nc3C2)nc1.Cc1nnc(-c2cnn(C)c2C(=O)CC2CCn3cc(-c4cc(F)ccc4F)nc3C2)s1.Cn1cnc(-c2cnn(C)c2C(=O)CC2CCn3cc(-c4ccccc4)nc3C2)c1.Cn1ncc(-c2nc(C(F)(F)F)cs2)c1C(=O)CC1CCn2c(nc(-c3ccccc3)c2F)C1.Cn1ncc(-c2nc(C(F)F)cs2)c1C(=O)CC1CCn2cc(-c3cccc(F)c3)nc2C1.

What is the InChIKey of 1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]ethanone;2-[2-(2,5-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-[1-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-5-yl]ethanone;2-(3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-1-[1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-yl]ethanone;1-[1-methyl-4-(1-methylimidazol-4-yl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone;1-[1-methyl-4-(5-methyl-2-pyridinyl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone?

The InChIKey is HCZNNVCNIOMVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O.C23H19F4N5OS.C23H20F3N5OS.C23H24N6O.C22H20F2N6OS/c1-17-8-9-21(26-14-17)20-15-27-29(2)25(20)23(31)12-18-10-11-30-16-22(28-24(30)13-18)19-6-4-3-5-7-19;1-31-20(15(11-28-31)22-29-17(12-34-22)23(25,26)27)16(33)9-13-7-8-32-18(10-13)30-19(21(32)24)14-5-3-2-4-6-14;1-30-21(16(10-27-30)23-29-18(12-33-23)22(25)26)19(32)7-13-5-6-31-11-17(28-20(31)8-13)14-3-2-4-15(24)9-14;1-27-13-20(24-15-27)18-12-25-28(2)23(18)21(30)10-16-8-9-29-14-19(26-22(29)11-16)17-6-4-3-5-7-17;1-12-27-28-22(32-12)16-10-25-29(2)21(16)19(31)7-13-5-6-30-11-18(26-20(30)8-13)15-9-14(23)3-4-17(15)24/h3-9,14-16,18H,10-13H2,1-2H3;2-6,11-13H,7-10H2,1H3;2-4,9-13,22H,5-8H2,1H3;3-7,12-16H,8-11H2,1-2H3;3-4,9-11,13H,5-8H2,1-2H3.

What are the key properties of 1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]ethanone;2-[2-(2,5-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-[1-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-5-yl]ethanone;2-(3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-1-[1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-yl]ethanone;1-[1-methyl-4-(1-methylimidazol-4-yl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone;1-[1-methyl-4-(5-methyl-2-pyridinyl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone?

1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]ethanone;2-[2-(2,5-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-[1-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-5-yl]ethanone;2-(3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-1-[1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-yl]ethanone;1-[1-methyl-4-(1-methylimidazol-4-yl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone;1-[1-methyl-4-(5-methyl-2-pyridinyl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone has a molecular weight of 2227.51 g/mol, XLogP of 22.95, 26 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]ethanone;2-[2-(2,5-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-[1-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-5-yl]ethanone;2-(3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-1-[1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-yl]ethanone;1-[1-methyl-4-(1-methylimidazol-4-yl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone;1-[1-methyl-4-(5-methyl-2-pyridinyl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone is sourced from PubChem (CID 158442581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).