3-amino-1,1,1-trifluoro-2-methylpropan-2-ol;6-(4-chloro-5-fluoropyrimidin-2-yl)-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazine;1,1,1-trifluoro-3-[[5-fluoro-2-[8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]pyrimidin-4-yl]amino]-2-methylpropan-2-ol

C42H35ClF10N12O2 — CID 158018591

About 3-amino-1,1,1-trifluoro-2-methylpropan-2-ol;6-(4-chloro-5-fluoropyrimidin-2-yl)-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazine;1,1,1-trifluoro-3-[[5-fluoro-2-[8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]pyrimidin-4-yl]amino]-2-methylpropan-2-ol

3-amino-1,1,1-trifluoro-2-methylpropan-2-ol;6-(4-chloro-5-fluoropyrimidin-2-yl)-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazine;1,1,1-trifluoro-3-[[5-fluoro-2-[8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]pyrimidin-4-yl]amino]-2-methylpropan-2-ol (PubChem CID 158018591) has the molecular formula C42H35ClF10N12O2 and a molecular weight of 965.26 g/mol. Its IUPAC name is 3-amino-1,1,1-trifluoro-2-methylpropan-2-ol;6-(4-chloro-5-fluoropyrimidin-2-yl)-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazine;1,1,1-trifluoro-3-[[5-fluoro-2-[8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]pyrimidin-4-yl]amino]-2-methylpropan-2-ol.

Molecular Properties

• Compound Name: 3-amino-1,1,1-trifluoro-2-methylpropan-2-ol;6-(4-chloro-5-fluoropyrimidin-2-yl)-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazine;1,1,1-trifluoro-3-[[5-fluoro-2-[8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]pyrimidin-4-yl]amino]-2-methylpropan-2-ol
• PubChem CID: 158018591
• Molecular Formula: C42H35ClF10N12O2
• Molecular Weight: 965.26 g/mol
• Exact Mass: 964.25
• IUPAC Name: 3-amino-1,1,1-trifluoro-2-methylpropan-2-ol;6-(4-chloro-5-fluoropyrimidin-2-yl)-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazine;1,1,1-trifluoro-3-[[5-fluoro-2-[8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]pyrimidin-4-yl]amino]-2-methylpropan-2-ol
• SMILES: CC(O)(CN)C(F)(F)F.CC(O)(CNc1nc(-c2cn3ccnc3c(Cc3ccccc3F)n2)ncc1F)C(F)(F)F.Fc1ccccc1Cc1nc(-c2ncc(F)c(Cl)n2)cn2ccnc12
• InChI: InChI=1S/C21H17F5N6O.C17H10ClF2N5.C4H8F3NO/c1-20(33,21(24,25)26)11-29-17-14(23)9-28-18(31-17)16-10-32-7-6-27-19(32)15(30-16)8-12-4-2-3-5-13(12)22;18-15-12(20)8-22-16(24-15)14-9-25-6-5-21-17(25)13(23-14)7-10-3-1-2-4-11(10)19;1-3(9,2-8)4(5,6)7/h2-7,9-10,33H,8,11H2,1H3,(H,28,29,31);1-6,8-9H,7H2;9H,2,8H2,1H3
• InChIKey: FFUAGQKWODQHOY-UHFFFAOYSA-N
• XLogP: 7.75
• TPSA: 190.45 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 10
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	965.26
LogP ≤ 5	7.75
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 3-amino-1,1,1-trifluoro-2-methylpropan-2-ol;6-(4-chloro-5-fluoropyrimidin-2-yl)-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazine;1,1,1-trifluoro-3-[[5-fluoro-2-[8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]pyrimidin-4-yl]amino]-2-methylpropan-2-ol?

The IUPAC name of 3-amino-1,1,1-trifluoro-2-methylpropan-2-ol;6-(4-chloro-5-fluoropyrimidin-2-yl)-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazine;1,1,1-trifluoro-3-[[5-fluoro-2-[8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]pyrimidin-4-yl]amino]-2-methylpropan-2-ol (CID 158018591) is 3-amino-1,1,1-trifluoro-2-methylpropan-2-ol;6-(4-chloro-5-fluoropyrimidin-2-yl)-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazine;1,1,1-trifluoro-3-[[5-fluoro-2-[8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]pyrimidin-4-yl]amino]-2-methylpropan-2-ol.

What is the SMILES notation for 3-amino-1,1,1-trifluoro-2-methylpropan-2-ol;6-(4-chloro-5-fluoropyrimidin-2-yl)-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazine;1,1,1-trifluoro-3-[[5-fluoro-2-[8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]pyrimidin-4-yl]amino]-2-methylpropan-2-ol?

The canonical SMILES for 3-amino-1,1,1-trifluoro-2-methylpropan-2-ol;6-(4-chloro-5-fluoropyrimidin-2-yl)-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazine;1,1,1-trifluoro-3-[[5-fluoro-2-[8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]pyrimidin-4-yl]amino]-2-methylpropan-2-ol is CC(O)(CN)C(F)(F)F.CC(O)(CNc1nc(-c2cn3ccnc3c(Cc3ccccc3F)n2)ncc1F)C(F)(F)F.Fc1ccccc1Cc1nc(-c2ncc(F)c(Cl)n2)cn2ccnc12.

What is the InChIKey of 3-amino-1,1,1-trifluoro-2-methylpropan-2-ol;6-(4-chloro-5-fluoropyrimidin-2-yl)-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazine;1,1,1-trifluoro-3-[[5-fluoro-2-[8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]pyrimidin-4-yl]amino]-2-methylpropan-2-ol?

The InChIKey is FFUAGQKWODQHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F5N6O.C17H10ClF2N5.C4H8F3NO/c1-20(33,21(24,25)26)11-29-17-14(23)9-28-18(31-17)16-10-32-7-6-27-19(32)15(30-16)8-12-4-2-3-5-13(12)22;18-15-12(20)8-22-16(24-15)14-9-25-6-5-21-17(25)13(23-14)7-10-3-1-2-4-11(10)19;1-3(9,2-8)4(5,6)7/h2-7,9-10,33H,8,11H2,1H3,(H,28,29,31);1-6,8-9H,7H2;9H,2,8H2,1H3.

What are the key properties of 3-amino-1,1,1-trifluoro-2-methylpropan-2-ol;6-(4-chloro-5-fluoropyrimidin-2-yl)-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazine;1,1,1-trifluoro-3-[[5-fluoro-2-[8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]pyrimidin-4-yl]amino]-2-methylpropan-2-ol?

3-amino-1,1,1-trifluoro-2-methylpropan-2-ol;6-(4-chloro-5-fluoropyrimidin-2-yl)-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazine;1,1,1-trifluoro-3-[[5-fluoro-2-[8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]pyrimidin-4-yl]amino]-2-methylpropan-2-ol has a molecular weight of 965.26 g/mol, XLogP of 7.75, 10 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-1,1,1-trifluoro-2-methylpropan-2-ol;6-(4-chloro-5-fluoropyrimidin-2-yl)-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazine;1,1,1-trifluoro-3-[[5-fluoro-2-[8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]pyrimidin-4-yl]amino]-2-methylpropan-2-ol is sourced from PubChem (CID 158018591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).