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

C24H24F3N5O4 — CID 155859502

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

8-methyl-7-(3-methylbenzoyl)-N-(pyridin-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155859502) has the molecular formula C24H24F3N5O4 and a molecular weight of 503.48 g/mol. Its IUPAC name is 8-methyl-7-(3-methylbenzoyl)-N-(pyridin-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 8-methyl-7-(3-methylbenzoyl)-N-(pyridin-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid
• PubChem CID: 155859502
• Molecular Formula: C24H24F3N5O4
• Molecular Weight: 503.48 g/mol
• Exact Mass: 503.18
• IUPAC Name: 8-methyl-7-(3-methylbenzoyl)-N-(pyridin-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid
• SMILES: Cc1cccc(C(=O)N2CCn3cc(C(=O)NCc4ccccn4)nc3C2C)c1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C22H23N5O2.C2HF3O2/c1-15-6-5-7-17(12-15)22(29)27-11-10-26-14-19(25-20(26)16(27)2)21(28)24-13-18-8-3-4-9-23-18;3-2(4,5)1(6)7/h3-9,12,14,16H,10-11,13H2,1-2H3,(H,24,28);(H,6,7)
• InChIKey: OXBVBYAHKOXIIN-UHFFFAOYSA-N
• XLogP: 3.37
• TPSA: 117.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.48
LogP ≤ 5	3.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 8-methyl-7-(3-methylbenzoyl)-N-(pyridin-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid (CID 155859502) is 8-methyl-7-(3-methylbenzoyl)-N-(pyridin-2-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-(3-methylbenzoyl)-N-(pyridin-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for 8-methyl-7-(3-methylbenzoyl)-N-(pyridin-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid is Cc1cccc(C(=O)N2CCn3cc(C(=O)NCc4ccccn4)nc3C2C)c1.O=C(O)C(F)(F)F.

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

The InChIKey is OXBVBYAHKOXIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2.C2HF3O2/c1-15-6-5-7-17(12-15)22(29)27-11-10-26-14-19(25-20(26)16(27)2)21(28)24-13-18-8-3-4-9-23-18;3-2(4,5)1(6)7/h3-9,12,14,16H,10-11,13H2,1-2H3,(H,24,28);(H,6,7).

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

8-methyl-7-(3-methylbenzoyl)-N-(pyridin-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 503.48 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-methyl-7-(3-methylbenzoyl)-N-(pyridin-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155859502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).