2-[[6-(2,2-dimethylpiperidin-4-yl)-2-ethyl-8-methylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

C28H31FN6S — CID 122497275

About 2-[[6-(2,2-dimethylpiperidin-4-yl)-2-ethyl-8-methylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

2-[[6-(2,2-dimethylpiperidin-4-yl)-2-ethyl-8-methylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (PubChem CID 122497275) has the molecular formula C28H31FN6S and a molecular weight of 502.66 g/mol. Its IUPAC name is 2-[[6-(2,2-dimethylpiperidin-4-yl)-2-ethyl-8-methylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile.

Molecular Properties

• Compound Name: 2-[[6-(2,2-dimethylpiperidin-4-yl)-2-ethyl-8-methylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
• PubChem CID: 122497275
• Molecular Formula: C28H31FN6S
• Molecular Weight: 502.66 g/mol
• Exact Mass: 502.23
• IUPAC Name: 2-[[6-(2,2-dimethylpiperidin-4-yl)-2-ethyl-8-methylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
• SMILES: CCc1nc2c(C)cc(C3CCNC(C)(C)C3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1
• InChI: InChI=1S/C28H31FN6S/c1-6-22-26(34(5)27-33-24(23(15-30)36-27)18-7-9-21(29)10-8-18)35-16-20(13-17(2)25(35)32-22)19-11-12-31-28(3,4)14-19/h7-10,13,16,19,31H,6,11-12,14H2,1-5H3
• InChIKey: IJCZZDVYPNVXAQ-UHFFFAOYSA-N
• XLogP: 6.35
• TPSA: 69.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	502.66
LogP ≤ 5	6.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(2,2-dimethylpiperidin-4-yl)-2-ethyl-8-methylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?

The IUPAC name of 2-[[6-(2,2-dimethylpiperidin-4-yl)-2-ethyl-8-methylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (CID 122497275) is 2-[[6-(2,2-dimethylpiperidin-4-yl)-2-ethyl-8-methylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile.

What is the SMILES notation for 2-[[6-(2,2-dimethylpiperidin-4-yl)-2-ethyl-8-methylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?

The canonical SMILES for 2-[[6-(2,2-dimethylpiperidin-4-yl)-2-ethyl-8-methylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile is CCc1nc2c(C)cc(C3CCNC(C)(C)C3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.

What is the InChIKey of 2-[[6-(2,2-dimethylpiperidin-4-yl)-2-ethyl-8-methylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?

The InChIKey is IJCZZDVYPNVXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31FN6S/c1-6-22-26(34(5)27-33-24(23(15-30)36-27)18-7-9-21(29)10-8-18)35-16-20(13-17(2)25(35)32-22)19-11-12-31-28(3,4)14-19/h7-10,13,16,19,31H,6,11-12,14H2,1-5H3.

What are the key properties of 2-[[6-(2,2-dimethylpiperidin-4-yl)-2-ethyl-8-methylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?

2-[[6-(2,2-dimethylpiperidin-4-yl)-2-ethyl-8-methylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile has a molecular weight of 502.66 g/mol, XLogP of 6.35, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[6-(2,2-dimethylpiperidin-4-yl)-2-ethyl-8-methylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 122497275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).