N-[(2-phenyl-1H-imidazol-5-yl)methyl]-1-pyrazin-2-ylpiperidin-3-amine;2,2,2-trifluoroacetic acid

C21H23F3N6O2 — CID 166341917

IUPACN-[(2-phenyl-1H-imidazol-5-yl)methyl]-1-pyrazin-2-ylpiperidin-3-amine;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1ccc(-c2ncc(CNC3CCCN(c4cnccn4)C3)[nH]2)cc1
InChIInChI=1S/C19H22N6.C2HF3O2/c1-2-5-15(6-3-1)19-23-12-17(24-19)11-22-16-7-4-10-25(14-16)18-13-20-8-9-21-18;3-2(4,5)1(6)7/h1-3,5-6,8-9,12-13,16,22H,4,7,10-11,14H2,(H,23,24);(H,6,7)
InChIKeyZHTOGPSVWXTHJR-UHFFFAOYSA-N
MW448.45 g/mol
LogP3.26
Rot. Bonds5

About N-[(2-phenyl-1H-imidazol-5-yl)methyl]-1-pyrazin-2-ylpiperidin-3-amine;2,2,2-trifluoroacetic acid

N-[(2-phenyl-1H-imidazol-5-yl)methyl]-1-pyrazin-2-ylpiperidin-3-amine;2,2,2-trifluoroacetic acid (PubChem CID 166341917) has the molecular formula C21H23F3N6O2 and a molecular weight of 448.45 g/mol. Its IUPAC name is N-[(2-phenyl-1H-imidazol-5-yl)methyl]-1-pyrazin-2-ylpiperidin-3-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[(2-phenyl-1H-imidazol-5-yl)methyl]-1-pyrazin-2-ylpiperidin-3-amine;2,2,2-trifluoroacetic acid
PubChem CID166341917
Molecular FormulaC21H23F3N6O2
Molecular Weight448.45 g/mol
Exact Mass448.18
IUPAC NameN-[(2-phenyl-1H-imidazol-5-yl)methyl]-1-pyrazin-2-ylpiperidin-3-amine;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1ccc(-c2ncc(CNC3CCCN(c4cnccn4)C3)[nH]2)cc1
InChIInChI=1S/C19H22N6.C2HF3O2/c1-2-5-15(6-3-1)19-23-12-17(24-19)11-22-16-7-4-10-25(14-16)18-13-20-8-9-21-18;3-2(4,5)1(6)7/h1-3,5-6,8-9,12-13,16,22H,4,7,10-11,14H2,(H,23,24);(H,6,7)
InChIKeyZHTOGPSVWXTHJR-UHFFFAOYSA-N
XLogP3.26
TPSA107.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.45
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[(2-phenyl-1H-imidazol-5-yl)methyl]-1-pyrazin-2-ylpiperidin-3-amine;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 N-[(2-phenyl-1H-imidazol-5-yl)methyl]-1-pyrazin-2-ylpiperidin-3-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[(2-phenyl-1H-imidazol-5-yl)methyl]-1-pyrazin-2-ylpiperidin-3-amine;2,2,2-trifluoroacetic acid (CID 166341917) is N-[(2-phenyl-1H-imidazol-5-yl)methyl]-1-pyrazin-2-ylpiperidin-3-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[(2-phenyl-1H-imidazol-5-yl)methyl]-1-pyrazin-2-ylpiperidin-3-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[(2-phenyl-1H-imidazol-5-yl)methyl]-1-pyrazin-2-ylpiperidin-3-amine;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.c1ccc(-c2ncc(CNC3CCCN(c4cnccn4)C3)[nH]2)cc1.
What is the InChIKey of N-[(2-phenyl-1H-imidazol-5-yl)methyl]-1-pyrazin-2-ylpiperidin-3-amine;2,2,2-trifluoroacetic acid?
The InChIKey is ZHTOGPSVWXTHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6.C2HF3O2/c1-2-5-15(6-3-1)19-23-12-17(24-19)11-22-16-7-4-10-25(14-16)18-13-20-8-9-21-18;3-2(4,5)1(6)7/h1-3,5-6,8-9,12-13,16,22H,4,7,10-11,14H2,(H,23,24);(H,6,7).
What are the key properties of N-[(2-phenyl-1H-imidazol-5-yl)methyl]-1-pyrazin-2-ylpiperidin-3-amine;2,2,2-trifluoroacetic acid?
N-[(2-phenyl-1H-imidazol-5-yl)methyl]-1-pyrazin-2-ylpiperidin-3-amine;2,2,2-trifluoroacetic acid has a molecular weight of 448.45 g/mol, XLogP of 3.26, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-phenyl-1H-imidazol-5-yl)methyl]-1-pyrazin-2-ylpiperidin-3-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 166341917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).