2-[amino-[(Z)-2-amino-2-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]ethenyl]amino]-N-(2,3-difluorophenyl)acetamide

C27H32F2N10OS — CID 143756193

About 2-[amino-[(Z)-2-amino-2-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]ethenyl]amino]-N-(2,3-difluorophenyl)acetamide

2-[amino-[(Z)-2-amino-2-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]ethenyl]amino]-N-(2,3-difluorophenyl)acetamide (PubChem CID 143756193) has the molecular formula C27H32F2N10OS and a molecular weight of 582.69 g/mol. Its IUPAC name is 2-[amino-[(Z)-2-amino-2-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]ethenyl]amino]-N-(2,3-difluorophenyl)acetamide.

Molecular Properties

• Compound Name: 2-[amino-[(Z)-2-amino-2-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]ethenyl]amino]-N-(2,3-difluorophenyl)acetamide
• PubChem CID: 143756193
• Molecular Formula: C27H32F2N10OS
• Molecular Weight: 582.69 g/mol
• Exact Mass: 582.24
• IUPAC Name: 2-[amino-[(Z)-2-amino-2-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]ethenyl]amino]-N-(2,3-difluorophenyl)acetamide
• SMILES: Cc1cn2c(/C(N)=C/N(N)CC(=O)Nc3cccc(F)c3F)cnc2c(Nc2cc(CN3CCCC(C)C3)ns2)n1
• InChI: InChI=1S/C27H32F2N10OS/c1-16-5-4-8-37(11-16)13-18-9-24(41-36-18)35-26-27-32-10-22(39(27)12-17(2)33-26)20(30)14-38(31)15-23(40)34-21-7-3-6-19(28)25(21)29/h3,6-7,9-10,12,14,16H,4-5,8,11,13,15,30-31H2,1-2H3,(H,33,35)(H,34,40)/b20-14-
• InChIKey: XKMXLEBDVFZCLX-ZHZULCJRSA-N
• XLogP: 3.82
• TPSA: 142.73 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	582.69
LogP ≤ 5	3.82
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 2-[amino-[(Z)-2-amino-2-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]ethenyl]amino]-N-(2,3-difluorophenyl)acetamide (CID 143756193) is 2-[amino-[(Z)-2-amino-2-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]ethenyl]amino]-N-(2,3-difluorophenyl)acetamide.

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

The canonical SMILES for 2-[amino-[(Z)-2-amino-2-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]ethenyl]amino]-N-(2,3-difluorophenyl)acetamide is Cc1cn2c(/C(N)=C/N(N)CC(=O)Nc3cccc(F)c3F)cnc2c(Nc2cc(CN3CCCC(C)C3)ns2)n1.

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

The InChIKey is XKMXLEBDVFZCLX-ZHZULCJRSA-N. The full InChI is InChI=1S/C27H32F2N10OS/c1-16-5-4-8-37(11-16)13-18-9-24(41-36-18)35-26-27-32-10-22(39(27)12-17(2)33-26)20(30)14-38(31)15-23(40)34-21-7-3-6-19(28)25(21)29/h3,6-7,9-10,12,14,16H,4-5,8,11,13,15,30-31H2,1-2H3,(H,33,35)(H,34,40)/b20-14-.

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

2-[amino-[(Z)-2-amino-2-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]ethenyl]amino]-N-(2,3-difluorophenyl)acetamide has a molecular weight of 582.69 g/mol, XLogP of 3.82, 9 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[amino-[(Z)-2-amino-2-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]ethenyl]amino]-N-(2,3-difluorophenyl)acetamide is sourced from PubChem (CID 143756193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).