N-(2,3-difluorophenyl)-2-[4-[8-[[3-[(3,3-dimethylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]-6-methylimidazo[1,2-a]pyrazin-3-yl]-1,5-dihydropyrazol-2-yl]acetamide

C29H33F2N9OS — CID 143841068

About N-(2,3-difluorophenyl)-2-[4-[8-[[3-[(3,3-dimethylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]-6-methylimidazo[1,2-a]pyrazin-3-yl]-1,5-dihydropyrazol-2-yl]acetamide

N-(2,3-difluorophenyl)-2-[4-[8-[[3-[(3,3-dimethylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]-6-methylimidazo[1,2-a]pyrazin-3-yl]-1,5-dihydropyrazol-2-yl]acetamide (PubChem CID 143841068) has the molecular formula C29H33F2N9OS and a molecular weight of 593.71 g/mol. Its IUPAC name is N-(2,3-difluorophenyl)-2-[4-[8-[[3-[(3,3-dimethylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]-6-methylimidazo[1,2-a]pyrazin-3-yl]-1,5-dihydropyrazol-2-yl]acetamide.

Molecular Properties

• Compound Name: N-(2,3-difluorophenyl)-2-[4-[8-[[3-[(3,3-dimethylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]-6-methylimidazo[1,2-a]pyrazin-3-yl]-1,5-dihydropyrazol-2-yl]acetamide
• PubChem CID: 143841068
• Molecular Formula: C29H33F2N9OS
• Molecular Weight: 593.71 g/mol
• Exact Mass: 593.25
• IUPAC Name: N-(2,3-difluorophenyl)-2-[4-[8-[[3-[(3,3-dimethylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]-6-methylimidazo[1,2-a]pyrazin-3-yl]-1,5-dihydropyrazol-2-yl]acetamide
• SMILES: Cc1cn2c(C3=CN(CC(=O)Nc4cccc(F)c4F)NC3)cnc2c(Nc2cc(CN3CCCC(C)(C)C3)ns2)n1
• InChI: InChI=1S/C29H33F2N9OS/c1-18-13-40-23(19-11-33-39(14-19)16-24(41)35-22-7-4-6-21(30)26(22)31)12-32-28(40)27(34-18)36-25-10-20(37-42-25)15-38-9-5-8-29(2,3)17-38/h4,6-7,10,12-14,33H,5,8-9,11,15-17H2,1-3H3,(H,34,36)(H,35,41)
• InChIKey: AHOSCTWZPPXCNJ-UHFFFAOYSA-N
• XLogP: 4.94
• TPSA: 102.72 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	593.71
LogP ≤ 5	4.94
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of N-(2,3-difluorophenyl)-2-[4-[8-[[3-[(3,3-dimethylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]-6-methylimidazo[1,2-a]pyrazin-3-yl]-1,5-dihydropyrazol-2-yl]acetamide (CID 143841068) is N-(2,3-difluorophenyl)-2-[4-[8-[[3-[(3,3-dimethylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]-6-methylimidazo[1,2-a]pyrazin-3-yl]-1,5-dihydropyrazol-2-yl]acetamide.

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

The canonical SMILES for N-(2,3-difluorophenyl)-2-[4-[8-[[3-[(3,3-dimethylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]-6-methylimidazo[1,2-a]pyrazin-3-yl]-1,5-dihydropyrazol-2-yl]acetamide is Cc1cn2c(C3=CN(CC(=O)Nc4cccc(F)c4F)NC3)cnc2c(Nc2cc(CN3CCCC(C)(C)C3)ns2)n1.

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

The InChIKey is AHOSCTWZPPXCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33F2N9OS/c1-18-13-40-23(19-11-33-39(14-19)16-24(41)35-22-7-4-6-21(30)26(22)31)12-32-28(40)27(34-18)36-25-10-20(37-42-25)15-38-9-5-8-29(2,3)17-38/h4,6-7,10,12-14,33H,5,8-9,11,15-17H2,1-3H3,(H,34,36)(H,35,41).

What are the key properties of N-(2,3-difluorophenyl)-2-[4-[8-[[3-[(3,3-dimethylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]-6-methylimidazo[1,2-a]pyrazin-3-yl]-1,5-dihydropyrazol-2-yl]acetamide?

N-(2,3-difluorophenyl)-2-[4-[8-[[3-[(3,3-dimethylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]-6-methylimidazo[1,2-a]pyrazin-3-yl]-1,5-dihydropyrazol-2-yl]acetamide has a molecular weight of 593.71 g/mol, XLogP of 4.94, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,3-difluorophenyl)-2-[4-[8-[[3-[(3,3-dimethylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]-6-methylimidazo[1,2-a]pyrazin-3-yl]-1,5-dihydropyrazol-2-yl]acetamide is sourced from PubChem (CID 143841068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).