2-[2,2-difluoroethyl-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]amino]-2-methylpropan-1-ol;hydrochloride

C20H25ClF2N8OS — CID 53317914

About 2-[2,2-difluoroethyl-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]amino]-2-methylpropan-1-ol;hydrochloride

2-[2,2-difluoroethyl-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]amino]-2-methylpropan-1-ol;hydrochloride (PubChem CID 53317914) has the molecular formula C20H25ClF2N8OS and a molecular weight of 498.99 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]amino]-2-methylpropan-1-ol;hydrochloride.

Molecular Properties

• Compound Name: 2-[2,2-difluoroethyl-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]amino]-2-methylpropan-1-ol;hydrochloride
• PubChem CID: 53317914
• Molecular Formula: C20H25ClF2N8OS
• Molecular Weight: 498.99 g/mol
• Exact Mass: 498.15
• IUPAC Name: 2-[2,2-difluoroethyl-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]amino]-2-methylpropan-1-ol;hydrochloride
• SMILES: Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(CN(CC(F)F)C(C)(C)CO)ns2)n1.Cl
• InChI: InChI=1S/C20H24F2N8OS.ClH/c1-12-8-30-15(13-5-24-25-6-13)7-23-19(30)18(26-12)27-17-4-14(28-32-17)9-29(10-16(21)22)20(2,3)11-31;/h4-8,16,31H,9-11H2,1-3H3,(H,24,25)(H,26,27);1H
• InChIKey: AMPWFXUQHOPVKZ-UHFFFAOYSA-N
• XLogP: 3.89
• TPSA: 107.26 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	498.99
LogP ≤ 5	3.89
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]amino]-2-methylpropan-1-ol;hydrochloride?

The IUPAC name of 2-[2,2-difluoroethyl-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]amino]-2-methylpropan-1-ol;hydrochloride (CID 53317914) is 2-[2,2-difluoroethyl-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]amino]-2-methylpropan-1-ol;hydrochloride.

What is the SMILES notation for 2-[2,2-difluoroethyl-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]amino]-2-methylpropan-1-ol;hydrochloride?

The canonical SMILES for 2-[2,2-difluoroethyl-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]amino]-2-methylpropan-1-ol;hydrochloride is Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(CN(CC(F)F)C(C)(C)CO)ns2)n1.Cl.

What is the InChIKey of 2-[2,2-difluoroethyl-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]amino]-2-methylpropan-1-ol;hydrochloride?

The InChIKey is AMPWFXUQHOPVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N8OS.ClH/c1-12-8-30-15(13-5-24-25-6-13)7-23-19(30)18(26-12)27-17-4-14(28-32-17)9-29(10-16(21)22)20(2,3)11-31;/h4-8,16,31H,9-11H2,1-3H3,(H,24,25)(H,26,27);1H.

What are the key properties of 2-[2,2-difluoroethyl-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]amino]-2-methylpropan-1-ol;hydrochloride?

2-[2,2-difluoroethyl-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]amino]-2-methylpropan-1-ol;hydrochloride has a molecular weight of 498.99 g/mol, XLogP of 3.89, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2,2-difluoroethyl-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]amino]-2-methylpropan-1-ol;hydrochloride is sourced from PubChem (CID 53317914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).