8-amino-N-(1-azabicyclo[2.2.1]heptan-4-yl)-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide

C23H25F3N6O2 — CID 138619341

About 8-amino-N-(1-azabicyclo[2.2.1]heptan-4-yl)-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide

8-amino-N-(1-azabicyclo[2.2.1]heptan-4-yl)-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide (PubChem CID 138619341) has the molecular formula C23H25F3N6O2 and a molecular weight of 474.49 g/mol. Its IUPAC name is 8-amino-N-(1-azabicyclo[2.2.1]heptan-4-yl)-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide.

Molecular Properties

• Compound Name: 8-amino-N-(1-azabicyclo[2.2.1]heptan-4-yl)-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide
• PubChem CID: 138619341
• Molecular Formula: C23H25F3N6O2
• Molecular Weight: 474.49 g/mol
• Exact Mass: 474.20
• IUPAC Name: 8-amino-N-(1-azabicyclo[2.2.1]heptan-4-yl)-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-c1cnc2c(N)nc(C(=O)NC34CCN(CC3)C4)cn12
• InChI: InChI=1S/C23H25F3N6O2/c1-13-3-4-14(21(2,34)23(24,25)26)9-15(13)17-10-28-19-18(27)29-16(11-32(17)19)20(33)30-22-5-7-31(12-22)8-6-22/h3-4,9-11,34H,5-8,12H2,1-2H3,(H2,27,29)(H,30,33)
• InChIKey: LGEVEIQPIKXMFC-UHFFFAOYSA-N
• XLogP: 2.63
• TPSA: 108.78 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.49
LogP ≤ 5	2.63
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 8-amino-N-(1-azabicyclo[2.2.1]heptan-4-yl)-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide?

The IUPAC name of 8-amino-N-(1-azabicyclo[2.2.1]heptan-4-yl)-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide (CID 138619341) is 8-amino-N-(1-azabicyclo[2.2.1]heptan-4-yl)-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 8-amino-N-(1-azabicyclo[2.2.1]heptan-4-yl)-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide?

The canonical SMILES for 8-amino-N-(1-azabicyclo[2.2.1]heptan-4-yl)-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-c1cnc2c(N)nc(C(=O)NC34CCN(CC3)C4)cn12.

What is the InChIKey of 8-amino-N-(1-azabicyclo[2.2.1]heptan-4-yl)-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide?

The InChIKey is LGEVEIQPIKXMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N6O2/c1-13-3-4-14(21(2,34)23(24,25)26)9-15(13)17-10-28-19-18(27)29-16(11-32(17)19)20(33)30-22-5-7-31(12-22)8-6-22/h3-4,9-11,34H,5-8,12H2,1-2H3,(H2,27,29)(H,30,33).

What are the key properties of 8-amino-N-(1-azabicyclo[2.2.1]heptan-4-yl)-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide?

8-amino-N-(1-azabicyclo[2.2.1]heptan-4-yl)-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 474.49 g/mol, XLogP of 2.63, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 8-amino-N-(1-azabicyclo[2.2.1]heptan-4-yl)-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 138619341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).