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

C21H26N8OS — CID 25144867

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

[(2R)-2-methyl-1-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]piperidin-2-yl]methanol (PubChem CID 25144867) has the molecular formula C21H26N8OS and a molecular weight of 438.56 g/mol. Its IUPAC name is [(2R)-2-methyl-1-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]piperidin-2-yl]methanol.

Molecular Properties

• Compound Name: [(2R)-2-methyl-1-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]piperidin-2-yl]methanol
• PubChem CID: 25144867
• Molecular Formula: C21H26N8OS
• Molecular Weight: 438.56 g/mol
• Exact Mass: 438.20
• IUPAC Name: [(2R)-2-methyl-1-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]piperidin-2-yl]methanol
• SMILES: Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(CN3CCCC[C@]3(C)CO)ns2)n1
• InChI: InChI=1S/C21H26N8OS/c1-14-11-29-17(15-8-23-24-9-15)10-22-20(29)19(25-14)26-18-7-16(27-31-18)12-28-6-4-3-5-21(28,2)13-30/h7-11,30H,3-6,12-13H2,1-2H3,(H,23,24)(H,25,26)/t21-/m1/s1
• InChIKey: OWLUPWJGLMOPGR-OAQYLSRUSA-N
• XLogP: 3.36
• TPSA: 107.26 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.56
LogP ≤ 5	3.36
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of [(2R)-2-methyl-1-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]piperidin-2-yl]methanol (CID 25144867) is [(2R)-2-methyl-1-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]piperidin-2-yl]methanol.

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

The canonical SMILES for [(2R)-2-methyl-1-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]piperidin-2-yl]methanol is Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(CN3CCCC[C@]3(C)CO)ns2)n1.

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

The InChIKey is OWLUPWJGLMOPGR-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H26N8OS/c1-14-11-29-17(15-8-23-24-9-15)10-22-20(29)19(25-14)26-18-7-16(27-31-18)12-28-6-4-3-5-21(28,2)13-30/h7-11,30H,3-6,12-13H2,1-2H3,(H,23,24)(H,25,26)/t21-/m1/s1.

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

[(2R)-2-methyl-1-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]piperidin-2-yl]methanol has a molecular weight of 438.56 g/mol, XLogP of 3.36, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-2-methyl-1-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]piperidin-2-yl]methanol is sourced from PubChem (CID 25144867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).