8-methyl-7-(4-methylpentanoyl)-N-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid

C22H28F3N5O4 — CID 155863960

About 8-methyl-7-(4-methylpentanoyl)-N-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid

8-methyl-7-(4-methylpentanoyl)-N-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155863960) has the molecular formula C22H28F3N5O4 and a molecular weight of 483.49 g/mol. Its IUPAC name is 8-methyl-7-(4-methylpentanoyl)-N-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 8-methyl-7-(4-methylpentanoyl)-N-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid
• PubChem CID: 155863960
• Molecular Formula: C22H28F3N5O4
• Molecular Weight: 483.49 g/mol
• Exact Mass: 483.21
• IUPAC Name: 8-methyl-7-(4-methylpentanoyl)-N-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid
• SMILES: CC(C)CCC(=O)N1CCn2cc(C(=O)NCc3cccnc3)nc2C1C.O=C(O)C(F)(F)F
• InChI: InChI=1S/C20H27N5O2.C2HF3O2/c1-14(2)6-7-18(26)25-10-9-24-13-17(23-19(24)15(25)3)20(27)22-12-16-5-4-8-21-11-16;3-2(4,5)1(6)7/h4-5,8,11,13-15H,6-7,9-10,12H2,1-3H3,(H,22,27);(H,6,7)
• InChIKey: RAPGAAWSPYKDHI-UHFFFAOYSA-N
• XLogP: 3.18
• TPSA: 117.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.49
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 8-methyl-7-(4-methylpentanoyl)-N-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid?

The IUPAC name of 8-methyl-7-(4-methylpentanoyl)-N-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid (CID 155863960) is 8-methyl-7-(4-methylpentanoyl)-N-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 8-methyl-7-(4-methylpentanoyl)-N-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for 8-methyl-7-(4-methylpentanoyl)-N-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid is CC(C)CCC(=O)N1CCn2cc(C(=O)NCc3cccnc3)nc2C1C.O=C(O)C(F)(F)F.

What is the InChIKey of 8-methyl-7-(4-methylpentanoyl)-N-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid?

The InChIKey is RAPGAAWSPYKDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2.C2HF3O2/c1-14(2)6-7-18(26)25-10-9-24-13-17(23-19(24)15(25)3)20(27)22-12-16-5-4-8-21-11-16;3-2(4,5)1(6)7/h4-5,8,11,13-15H,6-7,9-10,12H2,1-3H3,(H,22,27);(H,6,7).

What are the key properties of 8-methyl-7-(4-methylpentanoyl)-N-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid?

8-methyl-7-(4-methylpentanoyl)-N-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 483.49 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-methyl-7-(4-methylpentanoyl)-N-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155863960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).