N-[(2-methoxyphenyl)methyl]-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;N-[(3-methoxyphenyl)methyl]-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-[[4-(trifluoromethyl)phenyl]methyl]acetamide

C90H102F3N27O5S3 — CID 162170816

About N-[(2-methoxyphenyl)methyl]-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;N-[(3-methoxyphenyl)methyl]-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-[[4-(trifluoromethyl)phenyl]methyl]acetamide

N-[(2-methoxyphenyl)methyl]-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;N-[(3-methoxyphenyl)methyl]-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-[[4-(trifluoromethyl)phenyl]methyl]acetamide (PubChem CID 162170816) has the molecular formula C90H102F3N27O5S3 and a molecular weight of 1795.18 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-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;N-[(3-methoxyphenyl)methyl]-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-[[4-(trifluoromethyl)phenyl]methyl]acetamide.

Molecular Properties

• Compound Name: N-[(2-methoxyphenyl)methyl]-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;N-[(3-methoxyphenyl)methyl]-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-[[4-(trifluoromethyl)phenyl]methyl]acetamide
• PubChem CID: 162170816
• Molecular Formula: C90H102F3N27O5S3
• Molecular Weight: 1795.18 g/mol
• Exact Mass: 1793.77
• IUPAC Name: N-[(2-methoxyphenyl)methyl]-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;N-[(3-methoxyphenyl)methyl]-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-[[4-(trifluoromethyl)phenyl]methyl]acetamide
• SMILES: COc1cccc(CNC(=O)Cn2cc(-c3cnc4c(Nc5cc(CN6CCCC(C)C6)ns5)nc(C)cn34)cn2)c1.COc1ccccc1CNC(=O)Cn1cc(-c2cnc3c(Nc4cc(CN5CCCC(C)C5)ns4)nc(C)cn23)cn1.Cc1cn2c(-c3cnn(CC(=O)NCc4ccc(C(F)(F)F)cc4)c3)cnc2c(Nc2cc(CN3CCCC(C)C3)ns2)n1
• InChI: InChI=1S/C30H32F3N9OS.2C30H35N9O2S/c1-19-4-3-9-40(14-19)17-24-10-27(44-39-24)38-28-29-35-13-25(42(29)15-20(2)37-28)22-12-36-41(16-22)18-26(43)34-11-21-5-7-23(8-6-21)30(31,32)33;1-20-6-5-9-37(15-20)18-24-11-28(42-36-24)35-29-30-32-14-26(39(30)16-21(2)34-29)23-13-33-38(17-23)19-27(40)31-12-22-7-4-8-25(10-22)41-3;1-20-7-6-10-37(15-20)18-24-11-28(42-36-24)35-29-30-32-14-25(39(30)16-21(2)34-29)23-13-33-38(17-23)19-27(40)31-12-22-8-4-5-9-26(22)41-3/h5-8,10,12-13,15-16,19H,3-4,9,11,14,17-18H2,1-2H3,(H,34,43)(H,37,38);4,7-8,10-11,13-14,16-17,20H,5-6,9,12,15,18-19H2,1-3H3,(H,31,40)(H,34,35);4-5,8-9,11,13-14,16-17,20H,6-7,10,12,15,18-19H2,1-3H3,(H,31,40)(H,34,35)
• InChIKey: ZNTLNKIOMHRFCA-UHFFFAOYSA-N
• XLogP: 14.98
• TPSA: 334.27 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 32
• Rotatable Bonds: 29
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1795.18
LogP ≤ 5	14.98
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-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;N-[(3-methoxyphenyl)methyl]-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-[[4-(trifluoromethyl)phenyl]methyl]acetamide?

The IUPAC name of N-[(2-methoxyphenyl)methyl]-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;N-[(3-methoxyphenyl)methyl]-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-[[4-(trifluoromethyl)phenyl]methyl]acetamide (CID 162170816) is N-[(2-methoxyphenyl)methyl]-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;N-[(3-methoxyphenyl)methyl]-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-[[4-(trifluoromethyl)phenyl]methyl]acetamide.

What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-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;N-[(3-methoxyphenyl)methyl]-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-[[4-(trifluoromethyl)phenyl]methyl]acetamide?

The canonical SMILES for N-[(2-methoxyphenyl)methyl]-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;N-[(3-methoxyphenyl)methyl]-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-[[4-(trifluoromethyl)phenyl]methyl]acetamide is COc1cccc(CNC(=O)Cn2cc(-c3cnc4c(Nc5cc(CN6CCCC(C)C6)ns5)nc(C)cn34)cn2)c1.COc1ccccc1CNC(=O)Cn1cc(-c2cnc3c(Nc4cc(CN5CCCC(C)C5)ns4)nc(C)cn23)cn1.Cc1cn2c(-c3cnn(CC(=O)NCc4ccc(C(F)(F)F)cc4)c3)cnc2c(Nc2cc(CN3CCCC(C)C3)ns2)n1.

What is the InChIKey of N-[(2-methoxyphenyl)methyl]-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;N-[(3-methoxyphenyl)methyl]-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-[[4-(trifluoromethyl)phenyl]methyl]acetamide?

The InChIKey is ZNTLNKIOMHRFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32F3N9OS.2C30H35N9O2S/c1-19-4-3-9-40(14-19)17-24-10-27(44-39-24)38-28-29-35-13-25(42(29)15-20(2)37-28)22-12-36-41(16-22)18-26(43)34-11-21-5-7-23(8-6-21)30(31,32)33;1-20-6-5-9-37(15-20)18-24-11-28(42-36-24)35-29-30-32-14-26(39(30)16-21(2)34-29)23-13-33-38(17-23)19-27(40)31-12-22-7-4-8-25(10-22)41-3;1-20-7-6-10-37(15-20)18-24-11-28(42-36-24)35-29-30-32-14-25(39(30)16-21(2)34-29)23-13-33-38(17-23)19-27(40)31-12-22-8-4-5-9-26(22)41-3/h5-8,10,12-13,15-16,19H,3-4,9,11,14,17-18H2,1-2H3,(H,34,43)(H,37,38);4,7-8,10-11,13-14,16-17,20H,5-6,9,12,15,18-19H2,1-3H3,(H,31,40)(H,34,35);4-5,8-9,11,13-14,16-17,20H,6-7,10,12,15,18-19H2,1-3H3,(H,31,40)(H,34,35).

What are the key properties of N-[(2-methoxyphenyl)methyl]-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;N-[(3-methoxyphenyl)methyl]-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-[[4-(trifluoromethyl)phenyl]methyl]acetamide?

N-[(2-methoxyphenyl)methyl]-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;N-[(3-methoxyphenyl)methyl]-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-[[4-(trifluoromethyl)phenyl]methyl]acetamide has a molecular weight of 1795.18 g/mol, XLogP of 14.98, 29 rotatable bonds, 6 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-methoxyphenyl)methyl]-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;N-[(3-methoxyphenyl)methyl]-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-[[4-(trifluoromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 162170816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).