7-[(1-ethylpyrazol-4-yl)methyl]-8-methyl-N-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid

C19H27F3N6O3 — CID 155825841

About 7-[(1-ethylpyrazol-4-yl)methyl]-8-methyl-N-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid

7-[(1-ethylpyrazol-4-yl)methyl]-8-methyl-N-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155825841) has the molecular formula C19H27F3N6O3 and a molecular weight of 444.46 g/mol. Its IUPAC name is 7-[(1-ethylpyrazol-4-yl)methyl]-8-methyl-N-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 7-[(1-ethylpyrazol-4-yl)methyl]-8-methyl-N-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid
• PubChem CID: 155825841
• Molecular Formula: C19H27F3N6O3
• Molecular Weight: 444.46 g/mol
• Exact Mass: 444.21
• IUPAC Name: 7-[(1-ethylpyrazol-4-yl)methyl]-8-methyl-N-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid
• SMILES: CCn1cc(CN2CCn3cc(C(=O)NC(C)C)nc3C2C)cn1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C17H26N6O.C2HF3O2/c1-5-23-10-14(8-18-23)9-21-6-7-22-11-15(17(24)19-12(2)3)20-16(22)13(21)4;3-2(4,5)1(6)7/h8,10-13H,5-7,9H2,1-4H3,(H,19,24);(H,6,7)
• InChIKey: URJTZFPTUSPJAY-UHFFFAOYSA-N
• XLogP: 2.45
• TPSA: 105.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.46
LogP ≤ 5	2.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 7-[(1-ethylpyrazol-4-yl)methyl]-8-methyl-N-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid (CID 155825841) is 7-[(1-ethylpyrazol-4-yl)methyl]-8-methyl-N-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid.

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

The canonical SMILES for 7-[(1-ethylpyrazol-4-yl)methyl]-8-methyl-N-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid is CCn1cc(CN2CCn3cc(C(=O)NC(C)C)nc3C2C)cn1.O=C(O)C(F)(F)F.

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

The InChIKey is URJTZFPTUSPJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O.C2HF3O2/c1-5-23-10-14(8-18-23)9-21-6-7-22-11-15(17(24)19-12(2)3)20-16(22)13(21)4;3-2(4,5)1(6)7/h8,10-13H,5-7,9H2,1-4H3,(H,19,24);(H,6,7).

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

7-[(1-ethylpyrazol-4-yl)methyl]-8-methyl-N-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 444.46 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(1-ethylpyrazol-4-yl)methyl]-8-methyl-N-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155825841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).