N-(2,5-difluorophenyl)-2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide;2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide;2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide

C86H89F8N27O3S3 — CID 159984132

About N-(2,5-difluorophenyl)-2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide;2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide;2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide

N-(2,5-difluorophenyl)-2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide;2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide;2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 159984132) has the molecular formula C86H89F8N27O3S3 and a molecular weight of 1797.03 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide;2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide;2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

• Compound Name: N-(2,5-difluorophenyl)-2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide;2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide;2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
• PubChem CID: 159984132
• Molecular Formula: C86H89F8N27O3S3
• Molecular Weight: 1797.03 g/mol
• Exact Mass: 1795.67
• IUPAC Name: N-(2,5-difluorophenyl)-2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide;2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide;2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
• SMILES: Cc1cn2c(-c3cnn(CC(=O)Nc4cc(F)ccc4F)c3)cnc2c(Nc2cc(CN3CCCC(C)C3)ns2)n1.Cc1cn2c(-c3cnn(CC(=O)Nc4ccc(C(F)(F)F)cc4)c3)cnc2c(Nc2cc(CN3CCCC(C)C3)ns2)n1.Cc1cn2c(-c3cnn(CC(=O)Nc4cccc(C(F)(F)F)c4)c3)cnc2c(Nc2cc(CN3CCCC(C)C3)ns2)n1
• InChI: InChI=1S/2C29H30F3N9OS.C28H29F2N9OS/c1-18-5-4-8-39(13-18)16-23-10-26(43-38-23)37-27-28-33-12-24(41(28)14-19(2)35-27)20-11-34-40(15-20)17-25(42)36-22-7-3-6-21(9-22)29(30,31)32;1-18-4-3-9-39(13-18)16-23-10-26(43-38-23)37-27-28-33-12-24(41(28)14-19(2)35-27)20-11-34-40(15-20)17-25(42)36-22-7-5-21(6-8-22)29(30,31)32;1-17-4-3-7-37(12-17)15-21-9-26(41-36-21)35-27-28-31-11-24(39(28)13-18(2)33-27)19-10-32-38(14-19)16-25(40)34-23-8-20(29)5-6-22(23)30/h3,6-7,9-12,14-15,18H,4-5,8,13,16-17H2,1-2H3,(H,35,37)(H,36,42);5-8,10-12,14-15,18H,3-4,9,13,16-17H2,1-2H3,(H,35,37)(H,36,42);5-6,8-11,13-14,17H,3-4,7,12,15-16H2,1-2H3,(H,33,35)(H,34,40)
• InChIKey: OGCRQSOMTNGUKH-UHFFFAOYSA-N
• XLogP: 17.23
• TPSA: 315.81 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 30
• Rotatable Bonds: 24
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1797.03
LogP ≤ 5	17.23
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide;2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide;2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide?

The IUPAC name of N-(2,5-difluorophenyl)-2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide;2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide;2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide (CID 159984132) is N-(2,5-difluorophenyl)-2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide;2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide;2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide.

What is the SMILES notation for N-(2,5-difluorophenyl)-2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide;2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide;2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide?

The canonical SMILES for N-(2,5-difluorophenyl)-2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide;2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide;2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide is Cc1cn2c(-c3cnn(CC(=O)Nc4cc(F)ccc4F)c3)cnc2c(Nc2cc(CN3CCCC(C)C3)ns2)n1.Cc1cn2c(-c3cnn(CC(=O)Nc4ccc(C(F)(F)F)cc4)c3)cnc2c(Nc2cc(CN3CCCC(C)C3)ns2)n1.Cc1cn2c(-c3cnn(CC(=O)Nc4cccc(C(F)(F)F)c4)c3)cnc2c(Nc2cc(CN3CCCC(C)C3)ns2)n1.

What is the InChIKey of N-(2,5-difluorophenyl)-2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide;2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide;2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide?

The InChIKey is OGCRQSOMTNGUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C29H30F3N9OS.C28H29F2N9OS/c1-18-5-4-8-39(13-18)16-23-10-26(43-38-23)37-27-28-33-12-24(41(28)14-19(2)35-27)20-11-34-40(15-20)17-25(42)36-22-7-3-6-21(9-22)29(30,31)32;1-18-4-3-9-39(13-18)16-23-10-26(43-38-23)37-27-28-33-12-24(41(28)14-19(2)35-27)20-11-34-40(15-20)17-25(42)36-22-7-5-21(6-8-22)29(30,31)32;1-17-4-3-7-37(12-17)15-21-9-26(41-36-21)35-27-28-31-11-24(39(28)13-18(2)33-27)19-10-32-38(14-19)16-25(40)34-23-8-20(29)5-6-22(23)30/h3,6-7,9-12,14-15,18H,4-5,8,13,16-17H2,1-2H3,(H,35,37)(H,36,42);5-8,10-12,14-15,18H,3-4,9,13,16-17H2,1-2H3,(H,35,37)(H,36,42);5-6,8-11,13-14,17H,3-4,7,12,15-16H2,1-2H3,(H,33,35)(H,34,40).

What are the key properties of N-(2,5-difluorophenyl)-2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide;2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide;2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide?

N-(2,5-difluorophenyl)-2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide;2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide;2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 1797.03 g/mol, XLogP of 17.23, 24 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,5-difluorophenyl)-2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide;2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide;2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 159984132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).