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

C27H31F9N6O6S — CID 155840720

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

7-methyl-3-(1-methylpyrazol-4-yl)-1'-[(5-methylthiophen-2-yl)methyl]spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid) (PubChem CID 155840720) has the molecular formula C27H31F9N6O6S and a molecular weight of 738.63 g/mol. Its IUPAC name is 7-methyl-3-(1-methylpyrazol-4-yl)-1'-[(5-methylthiophen-2-yl)methyl]spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: 7-methyl-3-(1-methylpyrazol-4-yl)-1'-[(5-methylthiophen-2-yl)methyl]spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid)
• PubChem CID: 155840720
• Molecular Formula: C27H31F9N6O6S
• Molecular Weight: 738.63 g/mol
• Exact Mass: 738.19
• IUPAC Name: 7-methyl-3-(1-methylpyrazol-4-yl)-1'-[(5-methylthiophen-2-yl)methyl]spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid)
• SMILES: Cc1ccc(CN2CCC3(CC2)c2ncc(-c4cnn(C)c4)n2CCN3C)s1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C21H28N6S.3C2HF3O2/c1-16-4-5-18(28-16)15-26-8-6-21(7-9-26)20-22-13-19(17-12-23-25(3)14-17)27(20)11-10-24(21)2;3*3-2(4,5)1(6)7/h4-5,12-14H,6-11,15H2,1-3H3;3*(H,6,7)
• InChIKey: VAFIHNSASZGKMI-UHFFFAOYSA-N
• XLogP: 4.99
• TPSA: 154.02 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 3
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	738.63
LogP ≤ 5	4.99
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 7-methyl-3-(1-methylpyrazol-4-yl)-1'-[(5-methylthiophen-2-yl)methyl]spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid) (CID 155840720) is 7-methyl-3-(1-methylpyrazol-4-yl)-1'-[(5-methylthiophen-2-yl)methyl]spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid).

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

The canonical SMILES for 7-methyl-3-(1-methylpyrazol-4-yl)-1'-[(5-methylthiophen-2-yl)methyl]spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid) is Cc1ccc(CN2CCC3(CC2)c2ncc(-c4cnn(C)c4)n2CCN3C)s1.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 7-methyl-3-(1-methylpyrazol-4-yl)-1'-[(5-methylthiophen-2-yl)methyl]spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid)?

The InChIKey is VAFIHNSASZGKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6S.3C2HF3O2/c1-16-4-5-18(28-16)15-26-8-6-21(7-9-26)20-22-13-19(17-12-23-25(3)14-17)27(20)11-10-24(21)2;3*3-2(4,5)1(6)7/h4-5,12-14H,6-11,15H2,1-3H3;3*(H,6,7).

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

7-methyl-3-(1-methylpyrazol-4-yl)-1'-[(5-methylthiophen-2-yl)methyl]spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid) has a molecular weight of 738.63 g/mol, XLogP of 4.99, 3 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 7-methyl-3-(1-methylpyrazol-4-yl)-1'-[(5-methylthiophen-2-yl)methyl]spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155840720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).