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

C24H30F2N8OS — CID 71044917

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

[1-[[5-[[6-(1,1-difluoroethyl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl-ethylamino]cyclohexyl]methanol (PubChem CID 71044917) has the molecular formula C24H30F2N8OS and a molecular weight of 516.62 g/mol. Its IUPAC name is [1-[[5-[[6-(1,1-difluoroethyl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl-ethylamino]cyclohexyl]methanol.

Molecular Properties

• Compound Name: [1-[[5-[[6-(1,1-difluoroethyl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl-ethylamino]cyclohexyl]methanol
• PubChem CID: 71044917
• Molecular Formula: C24H30F2N8OS
• Molecular Weight: 516.62 g/mol
• Exact Mass: 516.22
• IUPAC Name: [1-[[5-[[6-(1,1-difluoroethyl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl-ethylamino]cyclohexyl]methanol
• SMILES: CCN(Cc1cc(Nc2nc(C(C)(F)F)cn3c(-c4cn[nH]c4)cnc23)sn1)C1(CO)CCCCC1
• InChI: InChI=1S/C24H30F2N8OS/c1-3-33(24(15-35)7-5-4-6-8-24)13-17-9-20(36-32-17)31-21-22-27-12-18(16-10-28-29-11-16)34(22)14-19(30-21)23(2,25)26/h9-12,14,35H,3-8,13,15H2,1-2H3,(H,28,29)(H,30,31)
• InChIKey: KUTYUYNVRYFJPY-UHFFFAOYSA-N
• XLogP: 4.95
• TPSA: 107.26 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.62
LogP ≤ 5	4.95
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of [1-[[5-[[6-(1,1-difluoroethyl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl-ethylamino]cyclohexyl]methanol (CID 71044917) is [1-[[5-[[6-(1,1-difluoroethyl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl-ethylamino]cyclohexyl]methanol.

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

The canonical SMILES for [1-[[5-[[6-(1,1-difluoroethyl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl-ethylamino]cyclohexyl]methanol is CCN(Cc1cc(Nc2nc(C(C)(F)F)cn3c(-c4cn[nH]c4)cnc23)sn1)C1(CO)CCCCC1.

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

The InChIKey is KUTYUYNVRYFJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F2N8OS/c1-3-33(24(15-35)7-5-4-6-8-24)13-17-9-20(36-32-17)31-21-22-27-12-18(16-10-28-29-11-16)34(22)14-19(30-21)23(2,25)26/h9-12,14,35H,3-8,13,15H2,1-2H3,(H,28,29)(H,30,31).

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

[1-[[5-[[6-(1,1-difluoroethyl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl-ethylamino]cyclohexyl]methanol has a molecular weight of 516.62 g/mol, XLogP of 4.95, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[[5-[[6-(1,1-difluoroethyl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl-ethylamino]cyclohexyl]methanol is sourced from PubChem (CID 71044917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).