1-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-4-ol

C₂₅H₂₈FN₅OS — CID 134173508

About 1-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-4-ol

1-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-4-ol (PubChem CID 134173508) has the molecular formula C₂₅H₂₈FN₅OS and a molecular weight of 465.60 g/mol. Its IUPAC name is 1-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-4-ol.

Molecular Properties

• Compound Name: 1-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-4-ol
• PubChem CID: 134173508
• Molecular Formula: C₂₅H₂₈FN₅OS
• Molecular Weight: 465.60 g/mol
• Exact Mass: 465.20
• IUPAC Name: 1-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-4-ol
• SMILES: CCc1nc2ccc(N3CCC(O)CC3)cn2c1N(C)Cc1nc(-c2ccc(F)cc2)cs1
• InChI: InChI=1S/C25H28FN5OS/c1-3-21-25(29(2)15-24-28-22(16-33-24)17-4-6-18(26)7-5-17)31-14-19(8-9-23(31)27-21)30-12-10-20(32)11-13-30/h4-9,14,16,20,32H,3,10-13,15H2,1-2H3
• InChIKey: KLKWSVITEICWHG-UHFFFAOYSA-N
• XLogP: 4.76
• TPSA: 56.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.60
LogP ≤ 5	4.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 1-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-4-ol (CID 134173508) is 1-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-4-ol.

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

The canonical SMILES for 1-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-4-ol is CCc1nc2ccc(N3CCC(O)CC3)cn2c1N(C)Cc1nc(-c2ccc(F)cc2)cs1.

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

The InChIKey is KLKWSVITEICWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN5OS/c1-3-21-25(29(2)15-24-28-22(16-33-24)17-4-6-18(26)7-5-17)31-14-19(8-9-23(31)27-21)30-12-10-20(32)11-13-30/h4-9,14,16,20,32H,3,10-13,15H2,1-2H3.

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

1-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-4-ol has a molecular weight of 465.60 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-4-ol is sourced from PubChem (CID 134173508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 134173508 — identifiers, structure, computed properties (public domain)

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