N-[3-(hydroxymethyl)-4-pyridinyl]-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-methyl-2-[[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]acetyl]amino]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-(thiophen-3-ylmethyl)acetamide

C80H95N29O5S4 — CID 159287371

About N-[3-(hydroxymethyl)-4-pyridinyl]-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-methyl-2-[[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]acetyl]amino]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-(thiophen-3-ylmethyl)acetamide

N-[3-(hydroxymethyl)-4-pyridinyl]-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-methyl-2-[[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]acetyl]amino]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-(thiophen-3-ylmethyl)acetamide (PubChem CID 159287371) has the molecular formula C80H95N29O5S4 and a molecular weight of 1671.11 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)-4-pyridinyl]-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-methyl-2-[[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]acetyl]amino]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-(thiophen-3-ylmethyl)acetamide.

Molecular Properties

• Compound Name: N-[3-(hydroxymethyl)-4-pyridinyl]-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-methyl-2-[[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]acetyl]amino]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-(thiophen-3-ylmethyl)acetamide
• PubChem CID: 159287371
• Molecular Formula: C80H95N29O5S4
• Molecular Weight: 1671.11 g/mol
• Exact Mass: 1669.70
• IUPAC Name: N-[3-(hydroxymethyl)-4-pyridinyl]-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-methyl-2-[[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]acetyl]amino]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-(thiophen-3-ylmethyl)acetamide
• SMILES: CNC(=O)CNC(=O)Cn1cc(-c2cnc3c(Nc4cc(CN5CCCC(C)C5)ns4)nc(C)cn23)cn1.Cc1cn2c(-c3cnn(CC(=O)NCc4ccsc4)c3)cnc2c(Nc2cc(CN3CCCC(C)C3)ns2)n1.Cc1cn2c(-c3cnn(CC(=O)Nc4ccncc4CO)c3)cnc2c(Nc2cc(CN3CCCC(C)C3)ns2)n1
• InChI: InChI=1S/C28H32N10O2S.C27H31N9OS2.C25H32N10O2S/c1-18-4-3-7-36(12-18)15-22-8-26(41-35-22)34-27-28-30-11-24(38(28)13-19(2)32-27)20-10-31-37(14-20)16-25(40)33-23-5-6-29-9-21(23)17-39;1-18-4-3-6-34(12-18)15-22-8-25(39-33-22)32-26-27-29-11-23(36(27)13-19(2)31-26)21-10-30-35(14-21)16-24(37)28-9-20-5-7-38-17-20;1-16-5-4-6-33(11-16)14-19-7-23(38-32-19)31-24-25-28-9-20(35(25)12-17(2)30-24)18-8-29-34(13-18)15-22(37)27-10-21(36)26-3/h5-6,8-11,13-14,18,39H,3-4,7,12,15-17H2,1-2H3,(H,32,34)(H,29,33,40);5,7-8,10-11,13-14,17-18H,3-4,6,9,12,15-16H2,1-2H3,(H,28,37)(H,31,32);7-9,12-13,16H,4-6,10-11,14-15H2,1-3H3,(H,26,36)(H,27,37)(H,30,31)
• InChIKey: KZRHQLMBJKTRSZ-UHFFFAOYSA-N
• XLogP: 10.77
• TPSA: 378.03 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 34
• Rotatable Bonds: 27
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1671.11
LogP ≤ 5	10.77
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)-4-pyridinyl]-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-methyl-2-[[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]acetyl]amino]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-(thiophen-3-ylmethyl)acetamide?

The IUPAC name of N-[3-(hydroxymethyl)-4-pyridinyl]-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-methyl-2-[[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]acetyl]amino]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-(thiophen-3-ylmethyl)acetamide (CID 159287371) is N-[3-(hydroxymethyl)-4-pyridinyl]-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-methyl-2-[[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]acetyl]amino]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-(thiophen-3-ylmethyl)acetamide.

What is the SMILES notation for N-[3-(hydroxymethyl)-4-pyridinyl]-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-methyl-2-[[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]acetyl]amino]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-(thiophen-3-ylmethyl)acetamide?

The canonical SMILES for N-[3-(hydroxymethyl)-4-pyridinyl]-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-methyl-2-[[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]acetyl]amino]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-(thiophen-3-ylmethyl)acetamide is CNC(=O)CNC(=O)Cn1cc(-c2cnc3c(Nc4cc(CN5CCCC(C)C5)ns4)nc(C)cn23)cn1.Cc1cn2c(-c3cnn(CC(=O)NCc4ccsc4)c3)cnc2c(Nc2cc(CN3CCCC(C)C3)ns2)n1.Cc1cn2c(-c3cnn(CC(=O)Nc4ccncc4CO)c3)cnc2c(Nc2cc(CN3CCCC(C)C3)ns2)n1.

What is the InChIKey of N-[3-(hydroxymethyl)-4-pyridinyl]-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-methyl-2-[[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]acetyl]amino]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-(thiophen-3-ylmethyl)acetamide?

The InChIKey is KZRHQLMBJKTRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N10O2S.C27H31N9OS2.C25H32N10O2S/c1-18-4-3-7-36(12-18)15-22-8-26(41-35-22)34-27-28-30-11-24(38(28)13-19(2)32-27)20-10-31-37(14-20)16-25(40)33-23-5-6-29-9-21(23)17-39;1-18-4-3-6-34(12-18)15-22-8-25(39-33-22)32-26-27-29-11-23(36(27)13-19(2)31-26)21-10-30-35(14-21)16-24(37)28-9-20-5-7-38-17-20;1-16-5-4-6-33(11-16)14-19-7-23(38-32-19)31-24-25-28-9-20(35(25)12-17(2)30-24)18-8-29-34(13-18)15-22(37)27-10-21(36)26-3/h5-6,8-11,13-14,18,39H,3-4,7,12,15-17H2,1-2H3,(H,32,34)(H,29,33,40);5,7-8,10-11,13-14,17-18H,3-4,6,9,12,15-16H2,1-2H3,(H,28,37)(H,31,32);7-9,12-13,16H,4-6,10-11,14-15H2,1-3H3,(H,26,36)(H,27,37)(H,30,31).

What are the key properties of N-[3-(hydroxymethyl)-4-pyridinyl]-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-methyl-2-[[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]acetyl]amino]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-(thiophen-3-ylmethyl)acetamide?

N-[3-(hydroxymethyl)-4-pyridinyl]-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-methyl-2-[[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]acetyl]amino]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-(thiophen-3-ylmethyl)acetamide has a molecular weight of 1671.11 g/mol, XLogP of 10.77, 27 rotatable bonds, 8 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(hydroxymethyl)-4-pyridinyl]-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-methyl-2-[[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]acetyl]amino]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-(thiophen-3-ylmethyl)acetamide is sourced from PubChem (CID 159287371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).