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

C28H30F10N6O6 — CID 155829541

IUPAC1'-[(4-fluorophenyl)methyl]-7-methyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid)
SMILESCN1CCn2c(-c3cnn(C)c3)cnc2C12CCN(Cc1ccc(F)cc1)CC2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C22H27FN6.3C2HF3O2/c1-26-11-12-29-20(18-13-25-27(2)16-18)14-24-21(29)22(26)7-9-28(10-8-22)15-17-3-5-19(23)6-4-17;3*3-2(4,5)1(6)7/h3-6,13-14,16H,7-12,15H2,1-2H3;3*(H,6,7)
InChIKeyGIESPFWTSRCJCU-UHFFFAOYSA-N
MW736.56 g/mol
LogP4.76
Rot. Bonds3

About 1'-[(4-fluorophenyl)methyl]-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'-[(4-fluorophenyl)methyl]-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 155829541) has the molecular formula C28H30F10N6O6 and a molecular weight of 736.56 g/mol. Its IUPAC name is 1'-[(4-fluorophenyl)methyl]-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 Name1'-[(4-fluorophenyl)methyl]-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 CID155829541
Molecular FormulaC28H30F10N6O6
Molecular Weight736.56 g/mol
Exact Mass736.21
IUPAC Name1'-[(4-fluorophenyl)methyl]-7-methyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid)
SMILESCN1CCn2c(-c3cnn(C)c3)cnc2C12CCN(Cc1ccc(F)cc1)CC2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C22H27FN6.3C2HF3O2/c1-26-11-12-29-20(18-13-25-27(2)16-18)14-24-21(29)22(26)7-9-28(10-8-22)15-17-3-5-19(23)6-4-17;3*3-2(4,5)1(6)7/h3-6,13-14,16H,7-12,15H2,1-2H3;3*(H,6,7)
InChIKeyGIESPFWTSRCJCU-UHFFFAOYSA-N
XLogP4.76
TPSA154.02 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500736.56
LogP ≤ 54.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1'-[(4-fluorophenyl)methyl]-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'-[(4-fluorophenyl)methyl]-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 155829541) is 1'-[(4-fluorophenyl)methyl]-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'-[(4-fluorophenyl)methyl]-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'-[(4-fluorophenyl)methyl]-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(Cc1ccc(F)cc1)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'-[(4-fluorophenyl)methyl]-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 GIESPFWTSRCJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN6.3C2HF3O2/c1-26-11-12-29-20(18-13-25-27(2)16-18)14-24-21(29)22(26)7-9-28(10-8-22)15-17-3-5-19(23)6-4-17;3*3-2(4,5)1(6)7/h3-6,13-14,16H,7-12,15H2,1-2H3;3*(H,6,7).
What are the key properties of 1'-[(4-fluorophenyl)methyl]-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'-[(4-fluorophenyl)methyl]-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 736.56 g/mol, XLogP of 4.76, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(4-fluorophenyl)methyl]-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 155829541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).