[2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]-4,5-dihydro-1,3-oxazol-5-yl]methanol;N-(2-ethyl-6-piperazin-1-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine

C50H55F2N13O2S2 — CID 157203671

About [2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]-4,5-dihydro-1,3-oxazol-5-yl]methanol;N-(2-ethyl-6-piperazin-1-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine

[2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]-4,5-dihydro-1,3-oxazol-5-yl]methanol;N-(2-ethyl-6-piperazin-1-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine (PubChem CID 157203671) has the molecular formula C50H55F2N13O2S2 and a molecular weight of 972.21 g/mol. Its IUPAC name is [2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]-4,5-dihydro-1,3-oxazol-5-yl]methanol;N-(2-ethyl-6-piperazin-1-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: [2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]-4,5-dihydro-1,3-oxazol-5-yl]methanol;N-(2-ethyl-6-piperazin-1-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
• PubChem CID: 157203671
• Molecular Formula: C50H55F2N13O2S2
• Molecular Weight: 972.21 g/mol
• Exact Mass: 971.40
• IUPAC Name: [2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]-4,5-dihydro-1,3-oxazol-5-yl]methanol;N-(2-ethyl-6-piperazin-1-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
• SMILES: CCc1nc2ccc(N3CCN(C4=NCC(CO)O4)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1.CCc1nc2ccc(N3CCNCC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1
• InChI: InChI=1S/C27H30FN7O2S.C23H25FN6S/c1-3-22-25(32(2)27-31-23(17-38-27)18-4-6-19(28)7-5-18)35-15-20(8-9-24(35)30-22)33-10-12-34(13-11-33)26-29-14-21(16-36)37-26;1-3-19-22(28(2)23-27-20(15-31-23)16-4-6-17(24)7-5-16)30-14-18(8-9-21(30)26-19)29-12-10-25-11-13-29/h4-9,15,17,21,36H,3,10-14,16H2,1-2H3;4-9,14-15,25H,3,10-13H2,1-2H3
• InChIKey: ARCCAPFTFWUOKV-UHFFFAOYSA-N
• XLogP: 8.13
• TPSA: 130.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 17
• Rotatable Bonds: 11
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	972.21
LogP ≤ 5	8.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of [2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]-4,5-dihydro-1,3-oxazol-5-yl]methanol;N-(2-ethyl-6-piperazin-1-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?

The IUPAC name of [2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]-4,5-dihydro-1,3-oxazol-5-yl]methanol;N-(2-ethyl-6-piperazin-1-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine (CID 157203671) is [2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]-4,5-dihydro-1,3-oxazol-5-yl]methanol;N-(2-ethyl-6-piperazin-1-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine.

What is the SMILES notation for [2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]-4,5-dihydro-1,3-oxazol-5-yl]methanol;N-(2-ethyl-6-piperazin-1-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?

The canonical SMILES for [2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]-4,5-dihydro-1,3-oxazol-5-yl]methanol;N-(2-ethyl-6-piperazin-1-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine is CCc1nc2ccc(N3CCN(C4=NCC(CO)O4)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1.CCc1nc2ccc(N3CCNCC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1.

What is the InChIKey of [2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]-4,5-dihydro-1,3-oxazol-5-yl]methanol;N-(2-ethyl-6-piperazin-1-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?

The InChIKey is ARCCAPFTFWUOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FN7O2S.C23H25FN6S/c1-3-22-25(32(2)27-31-23(17-38-27)18-4-6-19(28)7-5-18)35-15-20(8-9-24(35)30-22)33-10-12-34(13-11-33)26-29-14-21(16-36)37-26;1-3-19-22(28(2)23-27-20(15-31-23)16-4-6-17(24)7-5-16)30-14-18(8-9-21(30)26-19)29-12-10-25-11-13-29/h4-9,15,17,21,36H,3,10-14,16H2,1-2H3;4-9,14-15,25H,3,10-13H2,1-2H3.

What are the key properties of [2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]-4,5-dihydro-1,3-oxazol-5-yl]methanol;N-(2-ethyl-6-piperazin-1-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?

[2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]-4,5-dihydro-1,3-oxazol-5-yl]methanol;N-(2-ethyl-6-piperazin-1-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine has a molecular weight of 972.21 g/mol, XLogP of 8.13, 11 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]-4,5-dihydro-1,3-oxazol-5-yl]methanol;N-(2-ethyl-6-piperazin-1-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 157203671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).