N-[[8-methyl-7-[(1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide;bis(2,2,2-trifluoroacetic acid)

C21H26F6N6O5 — CID 118746366

About N-[[8-methyl-7-[(1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide;bis(2,2,2-trifluoroacetic acid)

N-[[8-methyl-7-[(1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide;bis(2,2,2-trifluoroacetic acid) (PubChem CID 118746366) has the molecular formula C21H26F6N6O5 and a molecular weight of 556.46 g/mol. Its IUPAC name is N-[[8-methyl-7-[(1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: N-[[8-methyl-7-[(1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide;bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 118746366
• Molecular Formula: C21H26F6N6O5
• Molecular Weight: 556.46 g/mol
• Exact Mass: 556.19
• IUPAC Name: N-[[8-methyl-7-[(1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide;bis(2,2,2-trifluoroacetic acid)
• SMILES: CC1c2ncc(CNC(=O)C3CC3)n2CCN1Cc1cnn(C)c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C17H24N6O.2C2HF3O2/c1-12-16-18-8-15(9-19-17(24)14-3-4-14)23(16)6-5-22(12)11-13-7-20-21(2)10-13;2*3-2(4,5)1(6)7/h7-8,10,12,14H,3-6,9,11H2,1-2H3,(H,19,24);2*(H,6,7)
• InChIKey: UOLPQTCQAKSPPD-UHFFFAOYSA-N
• XLogP: 2.49
• TPSA: 142.58 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	556.46
LogP ≤ 5	2.49
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[[8-methyl-7-[(1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide;bis(2,2,2-trifluoroacetic acid)?

The IUPAC name of N-[[8-methyl-7-[(1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide;bis(2,2,2-trifluoroacetic acid) (CID 118746366) is N-[[8-methyl-7-[(1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide;bis(2,2,2-trifluoroacetic acid).

What is the SMILES notation for N-[[8-methyl-7-[(1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide;bis(2,2,2-trifluoroacetic acid)?

The canonical SMILES for N-[[8-methyl-7-[(1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide;bis(2,2,2-trifluoroacetic acid) is CC1c2ncc(CNC(=O)C3CC3)n2CCN1Cc1cnn(C)c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

What is the InChIKey of N-[[8-methyl-7-[(1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide;bis(2,2,2-trifluoroacetic acid)?

The InChIKey is UOLPQTCQAKSPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O.2C2HF3O2/c1-12-16-18-8-15(9-19-17(24)14-3-4-14)23(16)6-5-22(12)11-13-7-20-21(2)10-13;2*3-2(4,5)1(6)7/h7-8,10,12,14H,3-6,9,11H2,1-2H3,(H,19,24);2*(H,6,7).

What are the key properties of N-[[8-methyl-7-[(1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide;bis(2,2,2-trifluoroacetic acid)?

N-[[8-methyl-7-[(1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 556.46 g/mol, XLogP of 2.49, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[8-methyl-7-[(1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 118746366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).