2-(dimethylamino)-1-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-5-(hydroxymethyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]ethanone

C29H35FN6O2S — CID 78426991

About 2-(dimethylamino)-1-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-5-(hydroxymethyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]ethanone

2-(dimethylamino)-1-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-5-(hydroxymethyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]ethanone (PubChem CID 78426991) has the molecular formula C29H35FN6O2S and a molecular weight of 550.70 g/mol. Its IUPAC name is 2-(dimethylamino)-1-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-5-(hydroxymethyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-(dimethylamino)-1-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-5-(hydroxymethyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]ethanone
• PubChem CID: 78426991
• Molecular Formula: C29H35FN6O2S
• Molecular Weight: 550.70 g/mol
• Exact Mass: 550.25
• IUPAC Name: 2-(dimethylamino)-1-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-5-(hydroxymethyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]ethanone
• SMILES: CCc1nc2ccc(C3CCN(C(=O)CN(C)C)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(CO)s1
• InChI: InChI=1S/C29H35FN6O2S/c1-5-23-28(34(4)29-32-27(24(18-37)39-29)20-6-9-22(30)10-7-20)36-16-21(8-11-25(36)31-23)19-12-14-35(15-13-19)26(38)17-33(2)3/h6-11,16,19,37H,5,12-15,17-18H2,1-4H3
• InChIKey: WVKMEMXOBIZILJ-UHFFFAOYSA-N
• XLogP: 4.69
• TPSA: 77.21 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	550.70
LogP ≤ 5	4.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-5-(hydroxymethyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]ethanone?

The IUPAC name of 2-(dimethylamino)-1-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-5-(hydroxymethyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]ethanone (CID 78426991) is 2-(dimethylamino)-1-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-5-(hydroxymethyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]ethanone.

What is the SMILES notation for 2-(dimethylamino)-1-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-5-(hydroxymethyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]ethanone?

The canonical SMILES for 2-(dimethylamino)-1-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-5-(hydroxymethyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]ethanone is CCc1nc2ccc(C3CCN(C(=O)CN(C)C)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(CO)s1.

What is the InChIKey of 2-(dimethylamino)-1-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-5-(hydroxymethyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]ethanone?

The InChIKey is WVKMEMXOBIZILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35FN6O2S/c1-5-23-28(34(4)29-32-27(24(18-37)39-29)20-6-9-22(30)10-7-20)36-16-21(8-11-25(36)31-23)19-12-14-35(15-13-19)26(38)17-33(2)3/h6-11,16,19,37H,5,12-15,17-18H2,1-4H3.

What are the key properties of 2-(dimethylamino)-1-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-5-(hydroxymethyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]ethanone?

2-(dimethylamino)-1-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-5-(hydroxymethyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]ethanone has a molecular weight of 550.70 g/mol, XLogP of 4.69, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(dimethylamino)-1-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-5-(hydroxymethyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 78426991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).