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

C₂₁H₂₄F₃N₅O₃ — CID 155884310

About 8-amino-N-(2-hydroxy-2-methylpropyl)-3-[2-methyl-5-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]imidazo[1,2-a]pyrazine-6-carboxamide

8-amino-N-(2-hydroxy-2-methylpropyl)-3-[2-methyl-5-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]imidazo[1,2-a]pyrazine-6-carboxamide (PubChem CID 155884310) has the molecular formula C₂₁H₂₄F₃N₅O₃ and a molecular weight of 451.45 g/mol. Its IUPAC name is 8-amino-N-(2-hydroxy-2-methylpropyl)-3-[2-methyl-5-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]imidazo[1,2-a]pyrazine-6-carboxamide.

Molecular Properties

• Compound Name: 8-amino-N-(2-hydroxy-2-methylpropyl)-3-[2-methyl-5-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]imidazo[1,2-a]pyrazine-6-carboxamide
• PubChem CID: 155884310
• Molecular Formula: C₂₁H₂₄F₃N₅O₃
• Molecular Weight: 451.45 g/mol
• Exact Mass: 451.18
• IUPAC Name: 8-amino-N-(2-hydroxy-2-methylpropyl)-3-[2-methyl-5-[(2S)-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-c1cnc2c(N)nc(C(=O)NCC(C)(C)O)cn12
• InChI: InChI=1S/C21H24F3N5O3/c1-11-5-6-12(20(4,32)21(22,23)24)7-13(11)15-8-26-17-16(25)28-14(9-29(15)17)18(30)27-10-19(2,3)31/h5-9,31-32H,10H2,1-4H3,(H2,25,28)(H,27,30)/t20-/m0/s1
• InChIKey: VHMODILVAAVUJY-FQEVSTJZSA-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 8-amino-N-(2-hydroxy-2-methylpropyl)-3-[2-methyl-5-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]imidazo[1,2-a]pyrazine-6-carboxamide?

The IUPAC name of 8-amino-N-(2-hydroxy-2-methylpropyl)-3-[2-methyl-5-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]imidazo[1,2-a]pyrazine-6-carboxamide (CID 155884310) is 8-amino-N-(2-hydroxy-2-methylpropyl)-3-[2-methyl-5-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]imidazo[1,2-a]pyrazine-6-carboxamide.

What is the SMILES notation for 8-amino-N-(2-hydroxy-2-methylpropyl)-3-[2-methyl-5-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]imidazo[1,2-a]pyrazine-6-carboxamide?

The canonical SMILES for 8-amino-N-(2-hydroxy-2-methylpropyl)-3-[2-methyl-5-[(2S)-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-c1cnc2c(N)nc(C(=O)NCC(C)(C)O)cn12.

What is the InChIKey of 8-amino-N-(2-hydroxy-2-methylpropyl)-3-[2-methyl-5-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]imidazo[1,2-a]pyrazine-6-carboxamide?

The InChIKey is VHMODILVAAVUJY-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H24F3N5O3/c1-11-5-6-12(20(4,32)21(22,23)24)7-13(11)15-8-26-17-16(25)28-14(9-29(15)17)18(30)27-10-19(2,3)31/h5-9,31-32H,10H2,1-4H3,(H2,25,28)(H,27,30)/t20-/m0/s1.

What are the key properties of 8-amino-N-(2-hydroxy-2-methylpropyl)-3-[2-methyl-5-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]imidazo[1,2-a]pyrazine-6-carboxamide?

8-amino-N-(2-hydroxy-2-methylpropyl)-3-[2-methyl-5-[(2S)-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 8-amino-N-(2-hydroxy-2-methylpropyl)-3-[2-methyl-5-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]imidazo[1,2-a]pyrazine-6-carboxamide is sourced from PubChem (CID 155884310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155884310 — identifiers, structure, computed properties (public domain)

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