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

C30H34F3N9OS — CID 143866306

About 2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]-1,5-dihydropyrazol-2-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]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]-1,5-dihydropyrazol-2-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide (PubChem CID 143866306) has the molecular formula C30H34F3N9OS and a molecular weight of 625.73 g/mol. Its IUPAC name is 2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]-1,5-dihydropyrazol-2-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide.

Molecular Properties

• Compound Name: 2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]-1,5-dihydropyrazol-2-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
• PubChem CID: 143866306
• Molecular Formula: C30H34F3N9OS
• Molecular Weight: 625.73 g/mol
• Exact Mass: 625.26
• IUPAC Name: 2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]-1,5-dihydropyrazol-2-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
• SMILES: Cc1cn2c(C3=CN(CC(=O)NCc4ccc(C(F)(F)F)cc4)NC3)cnc2c(Nc2cc(CN3CCCC(C)C3)ns2)n1
• InChI: InChI=1S/C30H34F3N9OS/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/h5-8,10,13,15-16,19,36H,3-4,9,11-12,14,17-18H2,1-2H3,(H,34,43)(H,37,38)
• InChIKey: INDBKESOJLXEJV-UHFFFAOYSA-N
• XLogP: 4.97
• TPSA: 102.72 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	625.73
LogP ≤ 5	4.97
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]-1,5-dihydropyrazol-2-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide (CID 143866306) is 2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]-1,5-dihydropyrazol-2-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide.

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

The canonical SMILES for 2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]-1,5-dihydropyrazol-2-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide is Cc1cn2c(C3=CN(CC(=O)NCc4ccc(C(F)(F)F)cc4)NC3)cnc2c(Nc2cc(CN3CCCC(C)C3)ns2)n1.

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

The InChIKey is INDBKESOJLXEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34F3N9OS/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/h5-8,10,13,15-16,19,36H,3-4,9,11-12,14,17-18H2,1-2H3,(H,34,43)(H,37,38).

What are the key properties of 2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]-1,5-dihydropyrazol-2-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]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]-1,5-dihydropyrazol-2-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide has a molecular weight of 625.73 g/mol, XLogP of 4.97, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]-1,5-dihydropyrazol-2-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 143866306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).