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

C27H33F9N8O6 — CID 155845886

IUPAC7-ethyl-3-(1-methylpyrazol-4-yl)-1'-[(1-methylpyrazol-4-yl)methyl]spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid)
SMILESCCN1CCn2c(-c3cnn(C)c3)cnc2C12CCN(Cc1cnn(C)c1)CC2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C21H30N8.3C2HF3O2/c1-4-28-9-10-29-19(18-12-24-26(3)16-18)13-22-20(29)21(28)5-7-27(8-6-21)15-17-11-23-25(2)14-17;3*3-2(4,5)1(6)7/h11-14,16H,4-10,15H2,1-3H3;3*(H,6,7)
InChIKeyBYFVYPLOKWNEKZ-UHFFFAOYSA-N
MW736.59 g/mol
LogP3.74
Rot. Bonds4

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

7-ethyl-3-(1-methylpyrazol-4-yl)-1'-[(1-methylpyrazol-4-yl)methyl]spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid) (PubChem CID 155845886) has the molecular formula C27H33F9N8O6 and a molecular weight of 736.59 g/mol. Its IUPAC name is 7-ethyl-3-(1-methylpyrazol-4-yl)-1'-[(1-methylpyrazol-4-yl)methyl]spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name7-ethyl-3-(1-methylpyrazol-4-yl)-1'-[(1-methylpyrazol-4-yl)methyl]spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid)
PubChem CID155845886
Molecular FormulaC27H33F9N8O6
Molecular Weight736.59 g/mol
Exact Mass736.24
IUPAC Name7-ethyl-3-(1-methylpyrazol-4-yl)-1'-[(1-methylpyrazol-4-yl)methyl]spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid)
SMILESCCN1CCn2c(-c3cnn(C)c3)cnc2C12CCN(Cc1cnn(C)c1)CC2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C21H30N8.3C2HF3O2/c1-4-28-9-10-29-19(18-12-24-26(3)16-18)13-22-20(29)21(28)5-7-27(8-6-21)15-17-11-23-25(2)14-17;3*3-2(4,5)1(6)7/h11-14,16H,4-10,15H2,1-3H3;3*(H,6,7)
InChIKeyBYFVYPLOKWNEKZ-UHFFFAOYSA-N
XLogP3.74
TPSA171.84 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500736.59
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 7-ethyl-3-(1-methylpyrazol-4-yl)-1'-[(1-methylpyrazol-4-yl)methyl]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 7-ethyl-3-(1-methylpyrazol-4-yl)-1'-[(1-methylpyrazol-4-yl)methyl]spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid)?
The IUPAC name of 7-ethyl-3-(1-methylpyrazol-4-yl)-1'-[(1-methylpyrazol-4-yl)methyl]spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid) (CID 155845886) is 7-ethyl-3-(1-methylpyrazol-4-yl)-1'-[(1-methylpyrazol-4-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-ethyl-3-(1-methylpyrazol-4-yl)-1'-[(1-methylpyrazol-4-yl)methyl]spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 7-ethyl-3-(1-methylpyrazol-4-yl)-1'-[(1-methylpyrazol-4-yl)methyl]spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid) is CCN1CCn2c(-c3cnn(C)c3)cnc2C12CCN(Cc1cnn(C)c1)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 7-ethyl-3-(1-methylpyrazol-4-yl)-1'-[(1-methylpyrazol-4-yl)methyl]spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid)?
The InChIKey is BYFVYPLOKWNEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N8.3C2HF3O2/c1-4-28-9-10-29-19(18-12-24-26(3)16-18)13-22-20(29)21(28)5-7-27(8-6-21)15-17-11-23-25(2)14-17;3*3-2(4,5)1(6)7/h11-14,16H,4-10,15H2,1-3H3;3*(H,6,7).
What are the key properties of 7-ethyl-3-(1-methylpyrazol-4-yl)-1'-[(1-methylpyrazol-4-yl)methyl]spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid)?
7-ethyl-3-(1-methylpyrazol-4-yl)-1'-[(1-methylpyrazol-4-yl)methyl]spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid) has a molecular weight of 736.59 g/mol, XLogP of 3.74, 4 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-3-(1-methylpyrazol-4-yl)-1'-[(1-methylpyrazol-4-yl)methyl]spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155845886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).