5-amino-N-(2-hydroxy-2-methylpropyl)-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide

C21H24F3N5O3 — CID 162691236

About 5-amino-N-(2-hydroxy-2-methylpropyl)-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide

5-amino-N-(2-hydroxy-2-methylpropyl)-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide (PubChem CID 162691236) has the molecular formula C21H24F3N5O3 and a molecular weight of 451.45 g/mol. Its IUPAC name is 5-amino-N-(2-hydroxy-2-methylpropyl)-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide.

Molecular Properties

• Compound Name: 5-amino-N-(2-hydroxy-2-methylpropyl)-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide
• PubChem CID: 162691236
• Molecular Formula: C21H24F3N5O3
• Molecular Weight: 451.45 g/mol
• Exact Mass: 451.18
• IUPAC Name: 5-amino-N-(2-hydroxy-2-methylpropyl)-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide
• SMILES: Cc1ccc(C(C)(O)C(F)(F)F)cc1-c1cnc2cnc(C(=O)NCC(C)(C)O)c(N)n12
• InChI: InChI=1S/C21H24F3N5O3/c1-11-5-6-12(20(4,32)21(22,23)24)7-13(11)14-8-26-15-9-27-16(17(25)29(14)15)18(30)28-10-19(2,3)31/h5-9,31-32H,10,25H2,1-4H3,(H,28,30)
• InChIKey: ADZWZVHMEGQGQO-UHFFFAOYSA-N
• XLogP: 2.56
• TPSA: 125.77 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.45
LogP ≤ 5	2.56
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-hydroxy-2-methylpropyl)-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide?

The IUPAC name of 5-amino-N-(2-hydroxy-2-methylpropyl)-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide (CID 162691236) is 5-amino-N-(2-hydroxy-2-methylpropyl)-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide.

What is the SMILES notation for 5-amino-N-(2-hydroxy-2-methylpropyl)-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide?

The canonical SMILES for 5-amino-N-(2-hydroxy-2-methylpropyl)-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide is Cc1ccc(C(C)(O)C(F)(F)F)cc1-c1cnc2cnc(C(=O)NCC(C)(C)O)c(N)n12.

What is the InChIKey of 5-amino-N-(2-hydroxy-2-methylpropyl)-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide?

The InChIKey is ADZWZVHMEGQGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N5O3/c1-11-5-6-12(20(4,32)21(22,23)24)7-13(11)14-8-26-15-9-27-16(17(25)29(14)15)18(30)28-10-19(2,3)31/h5-9,31-32H,10,25H2,1-4H3,(H,28,30).

What are the key properties of 5-amino-N-(2-hydroxy-2-methylpropyl)-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide?

5-amino-N-(2-hydroxy-2-methylpropyl)-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide has a molecular weight of 451.45 g/mol, XLogP of 2.56, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-N-(2-hydroxy-2-methylpropyl)-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide is sourced from PubChem (CID 162691236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).