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

C25H32N10O2S — CID 59503535

About 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

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 (PubChem CID 59503535) has the molecular formula C25H32N10O2S and a molecular weight of 536.67 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 59503535
• Molecular Formula: C25H32N10O2S
• Molecular Weight: 536.67 g/mol
• Exact Mass: 536.24
• IUPAC Name: 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
• SMILES: CNC(=O)CNC(=O)Cn1cc(-c2cnc3c(Nc4cc(CN5CCCC(C)C5)ns4)nc(C)cn23)cn1
• InChI: InChI=1S/C25H32N10O2S/c1-16-5-4-6-33(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/h7-9,12-13,16H,4-6,10-11,14-15H2,1-3H3,(H,26,36)(H,27,37)(H,30,31)
• InChIKey: FFQWWYHXBSAKDF-UHFFFAOYSA-N
• XLogP: 2.20
• TPSA: 134.37 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	536.67
LogP ≤ 5	2.20
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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 (CID 59503535) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CNC(=O)CNC(=O)Cn1cc(-c2cnc3c(Nc4cc(CN5CCCC(C)C5)ns4)nc(C)cn23)cn1.

What is the InChIKey of 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?

The InChIKey is FFQWWYHXBSAKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N10O2S/c1-16-5-4-6-33(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/h7-9,12-13,16H,4-6,10-11,14-15H2,1-3H3,(H,26,36)(H,27,37)(H,30,31).

What are the key properties of N-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?

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 has a molecular weight of 536.67 g/mol, XLogP of 2.20, 9 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 59503535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).