N-[2-ethyl-6-[4-(1,2,4-oxadiazol-3-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine

C26H27FN8OS — CID 78428035

About N-[2-ethyl-6-[4-(1,2,4-oxadiazol-3-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine

N-[2-ethyl-6-[4-(1,2,4-oxadiazol-3-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine (PubChem CID 78428035) has the molecular formula C26H27FN8OS and a molecular weight of 518.62 g/mol. Its IUPAC name is N-[2-ethyl-6-[4-(1,2,4-oxadiazol-3-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: N-[2-ethyl-6-[4-(1,2,4-oxadiazol-3-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
• PubChem CID: 78428035
• Molecular Formula: C26H27FN8OS
• Molecular Weight: 518.62 g/mol
• Exact Mass: 518.20
• IUPAC Name: N-[2-ethyl-6-[4-(1,2,4-oxadiazol-3-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
• SMILES: CCc1nc2ccc(N3CCN(Cc4ncon4)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1
• InChI: InChI=1S/C26H27FN8OS/c1-3-21-25(32(2)26-30-22(16-37-26)18-4-6-19(27)7-5-18)35-14-20(8-9-24(35)29-21)34-12-10-33(11-13-34)15-23-28-17-36-31-23/h4-9,14,16-17H,3,10-13,15H2,1-2H3
• InChIKey: QDBOUKWVJFPGGY-UHFFFAOYSA-N
• XLogP: 4.63
• TPSA: 78.83 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.62
LogP ≤ 5	4.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[2-ethyl-6-[4-(1,2,4-oxadiazol-3-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?

The IUPAC name of N-[2-ethyl-6-[4-(1,2,4-oxadiazol-3-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine (CID 78428035) is N-[2-ethyl-6-[4-(1,2,4-oxadiazol-3-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine.

What is the SMILES notation for N-[2-ethyl-6-[4-(1,2,4-oxadiazol-3-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?

The canonical SMILES for N-[2-ethyl-6-[4-(1,2,4-oxadiazol-3-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine is CCc1nc2ccc(N3CCN(Cc4ncon4)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1.

What is the InChIKey of N-[2-ethyl-6-[4-(1,2,4-oxadiazol-3-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?

The InChIKey is QDBOUKWVJFPGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN8OS/c1-3-21-25(32(2)26-30-22(16-37-26)18-4-6-19(27)7-5-18)35-14-20(8-9-24(35)29-21)34-12-10-33(11-13-34)15-23-28-17-36-31-23/h4-9,14,16-17H,3,10-13,15H2,1-2H3.

What are the key properties of N-[2-ethyl-6-[4-(1,2,4-oxadiazol-3-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?

N-[2-ethyl-6-[4-(1,2,4-oxadiazol-3-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine has a molecular weight of 518.62 g/mol, XLogP of 4.63, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-ethyl-6-[4-(1,2,4-oxadiazol-3-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 78428035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).