[1-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl-(2,2,2-trifluoroethyl)amino]cyclopentyl]methanol

C22H25F3N8OS — CID 71044788

About [1-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl-(2,2,2-trifluoroethyl)amino]cyclopentyl]methanol

[1-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl-(2,2,2-trifluoroethyl)amino]cyclopentyl]methanol (PubChem CID 71044788) has the molecular formula C22H25F3N8OS and a molecular weight of 506.56 g/mol. Its IUPAC name is [1-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl-(2,2,2-trifluoroethyl)amino]cyclopentyl]methanol.

Molecular Properties

• Compound Name: [1-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl-(2,2,2-trifluoroethyl)amino]cyclopentyl]methanol
• PubChem CID: 71044788
• Molecular Formula: C22H25F3N8OS
• Molecular Weight: 506.56 g/mol
• Exact Mass: 506.18
• IUPAC Name: [1-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl-(2,2,2-trifluoroethyl)amino]cyclopentyl]methanol
• SMILES: Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(CN(CC(F)(F)F)C3(CO)CCCC3)ns2)n1
• InChI: InChI=1S/C22H25F3N8OS/c1-14-10-33-17(15-7-27-28-8-15)9-26-20(33)19(29-14)30-18-6-16(31-35-18)11-32(12-22(23,24)25)21(13-34)4-2-3-5-21/h6-10,34H,2-5,11-13H2,1H3,(H,27,28)(H,29,30)
• InChIKey: QQNLQUAIKBYDGM-UHFFFAOYSA-N
• XLogP: 4.30
• TPSA: 107.26 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.56
LogP ≤ 5	4.30
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of [1-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl-(2,2,2-trifluoroethyl)amino]cyclopentyl]methanol?

The IUPAC name of [1-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl-(2,2,2-trifluoroethyl)amino]cyclopentyl]methanol (CID 71044788) is [1-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl-(2,2,2-trifluoroethyl)amino]cyclopentyl]methanol.

What is the SMILES notation for [1-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl-(2,2,2-trifluoroethyl)amino]cyclopentyl]methanol?

The canonical SMILES for [1-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl-(2,2,2-trifluoroethyl)amino]cyclopentyl]methanol is Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(CN(CC(F)(F)F)C3(CO)CCCC3)ns2)n1.

What is the InChIKey of [1-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl-(2,2,2-trifluoroethyl)amino]cyclopentyl]methanol?

The InChIKey is QQNLQUAIKBYDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N8OS/c1-14-10-33-17(15-7-27-28-8-15)9-26-20(33)19(29-14)30-18-6-16(31-35-18)11-32(12-22(23,24)25)21(13-34)4-2-3-5-21/h6-10,34H,2-5,11-13H2,1H3,(H,27,28)(H,29,30).

What are the key properties of [1-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl-(2,2,2-trifluoroethyl)amino]cyclopentyl]methanol?

[1-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl-(2,2,2-trifluoroethyl)amino]cyclopentyl]methanol has a molecular weight of 506.56 g/mol, XLogP of 4.30, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl-(2,2,2-trifluoroethyl)amino]cyclopentyl]methanol is sourced from PubChem (CID 71044788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).