1'-(cyclopropylmethyl)-7-methyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid)

C25H31F9N6O6 — CID 118747016

About 1'-(cyclopropylmethyl)-7-methyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid)

1'-(cyclopropylmethyl)-7-methyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid) (PubChem CID 118747016) has the molecular formula C25H31F9N6O6 and a molecular weight of 682.54 g/mol. Its IUPAC name is 1'-(cyclopropylmethyl)-7-methyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: 1'-(cyclopropylmethyl)-7-methyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid)
• PubChem CID: 118747016
• Molecular Formula: C25H31F9N6O6
• Molecular Weight: 682.54 g/mol
• Exact Mass: 682.22
• IUPAC Name: 1'-(cyclopropylmethyl)-7-methyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid)
• SMILES: CN1CCn2c(-c3cnn(C)c3)cnc2C12CCN(CC1CC1)CC2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C19H28N6.3C2HF3O2/c1-22-9-10-25-17(16-11-21-23(2)14-16)12-20-18(25)19(22)5-7-24(8-6-19)13-15-3-4-15;3*3-2(4,5)1(6)7/h11-12,14-15H,3-10,13H2,1-2H3;3*(H,6,7)
• InChIKey: NMNCQWORTMNOLC-UHFFFAOYSA-N
• XLogP: 3.83
• TPSA: 154.02 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 3
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	682.54
LogP ≤ 5	3.83
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1'-(cyclopropylmethyl)-7-methyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid)?

The IUPAC name of 1'-(cyclopropylmethyl)-7-methyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid) (CID 118747016) is 1'-(cyclopropylmethyl)-7-methyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid).

What is the SMILES notation for 1'-(cyclopropylmethyl)-7-methyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid)?

The canonical SMILES for 1'-(cyclopropylmethyl)-7-methyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid) is CN1CCn2c(-c3cnn(C)c3)cnc2C12CCN(CC1CC1)CC2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

What is the InChIKey of 1'-(cyclopropylmethyl)-7-methyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid)?

The InChIKey is NMNCQWORTMNOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6.3C2HF3O2/c1-22-9-10-25-17(16-11-21-23(2)14-16)12-20-18(25)19(22)5-7-24(8-6-19)13-15-3-4-15;3*3-2(4,5)1(6)7/h11-12,14-15H,3-10,13H2,1-2H3;3*(H,6,7).

What are the key properties of 1'-(cyclopropylmethyl)-7-methyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid)?

1'-(cyclopropylmethyl)-7-methyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid) has a molecular weight of 682.54 g/mol, XLogP of 3.83, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1'-(cyclopropylmethyl)-7-methyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 118747016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).