2-[[2-ethyl-6-[4-[2-[3-(2-fluoroethoxy)azetidin-1-yl]-2-oxoethyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

C31H34F2N8O2S — CID 166632645

About 2-[[2-ethyl-6-[4-[2-[3-(2-fluoroethoxy)azetidin-1-yl]-2-oxoethyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

2-[[2-ethyl-6-[4-[2-[3-(2-fluoroethoxy)azetidin-1-yl]-2-oxoethyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (PubChem CID 166632645) has the molecular formula C31H34F2N8O2S and a molecular weight of 620.73 g/mol. Its IUPAC name is 2-[[2-ethyl-6-[4-[2-[3-(2-fluoroethoxy)azetidin-1-yl]-2-oxoethyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile.

Molecular Properties

• Compound Name: 2-[[2-ethyl-6-[4-[2-[3-(2-fluoroethoxy)azetidin-1-yl]-2-oxoethyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
• PubChem CID: 166632645
• Molecular Formula: C31H34F2N8O2S
• Molecular Weight: 620.73 g/mol
• Exact Mass: 620.25
• IUPAC Name: 2-[[2-ethyl-6-[4-[2-[3-(2-fluoroethoxy)azetidin-1-yl]-2-oxoethyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
• SMILES: CCc1nc2ccc(N3CCN(CC(=O)N4CC(OCCF)C4)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1
• InChI: InChI=1S/C31H34F2N8O2S/c1-3-25-30(37(2)31-36-29(26(16-34)44-31)21-4-6-22(33)7-5-21)41-17-23(8-9-27(41)35-25)39-13-11-38(12-14-39)20-28(42)40-18-24(19-40)43-15-10-32/h4-9,17,24H,3,10-15,18-20H2,1-2H3
• InChIKey: SXOWAHRSZPSPJU-UHFFFAOYSA-N
• XLogP: 4.12
• TPSA: 93.24 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	620.73
LogP ≤ 5	4.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[[2-ethyl-6-[4-[2-[3-(2-fluoroethoxy)azetidin-1-yl]-2-oxoethyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?

The IUPAC name of 2-[[2-ethyl-6-[4-[2-[3-(2-fluoroethoxy)azetidin-1-yl]-2-oxoethyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (CID 166632645) is 2-[[2-ethyl-6-[4-[2-[3-(2-fluoroethoxy)azetidin-1-yl]-2-oxoethyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile.

What is the SMILES notation for 2-[[2-ethyl-6-[4-[2-[3-(2-fluoroethoxy)azetidin-1-yl]-2-oxoethyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?

The canonical SMILES for 2-[[2-ethyl-6-[4-[2-[3-(2-fluoroethoxy)azetidin-1-yl]-2-oxoethyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile is CCc1nc2ccc(N3CCN(CC(=O)N4CC(OCCF)C4)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.

What is the InChIKey of 2-[[2-ethyl-6-[4-[2-[3-(2-fluoroethoxy)azetidin-1-yl]-2-oxoethyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?

The InChIKey is SXOWAHRSZPSPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34F2N8O2S/c1-3-25-30(37(2)31-36-29(26(16-34)44-31)21-4-6-22(33)7-5-21)41-17-23(8-9-27(41)35-25)39-13-11-38(12-14-39)20-28(42)40-18-24(19-40)43-15-10-32/h4-9,17,24H,3,10-15,18-20H2,1-2H3.

What are the key properties of 2-[[2-ethyl-6-[4-[2-[3-(2-fluoroethoxy)azetidin-1-yl]-2-oxoethyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?

2-[[2-ethyl-6-[4-[2-[3-(2-fluoroethoxy)azetidin-1-yl]-2-oxoethyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile has a molecular weight of 620.73 g/mol, XLogP of 4.12, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-ethyl-6-[4-[2-[3-(2-fluoroethoxy)azetidin-1-yl]-2-oxoethyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 166632645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).