N-[(Z)-2-[4-(3-imidazol-1-ylpiperidin-1-yl)pyrimidin-2-yl]-2-[5-(trifluoromethyl)-2H-pyrazin-1-yl]ethenyl]methanimine

C20H21F3N8 — CID 139358660

About N-[(Z)-2-[4-(3-imidazol-1-ylpiperidin-1-yl)pyrimidin-2-yl]-2-[5-(trifluoromethyl)-2H-pyrazin-1-yl]ethenyl]methanimine

N-[(Z)-2-[4-(3-imidazol-1-ylpiperidin-1-yl)pyrimidin-2-yl]-2-[5-(trifluoromethyl)-2H-pyrazin-1-yl]ethenyl]methanimine (PubChem CID 139358660) has the molecular formula C20H21F3N8 and a molecular weight of 430.44 g/mol. Its IUPAC name is N-[(Z)-2-[4-(3-imidazol-1-ylpiperidin-1-yl)pyrimidin-2-yl]-2-[5-(trifluoromethyl)-2H-pyrazin-1-yl]ethenyl]methanimine.

Molecular Properties

• Compound Name: N-[(Z)-2-[4-(3-imidazol-1-ylpiperidin-1-yl)pyrimidin-2-yl]-2-[5-(trifluoromethyl)-2H-pyrazin-1-yl]ethenyl]methanimine
• PubChem CID: 139358660
• Molecular Formula: C20H21F3N8
• Molecular Weight: 430.44 g/mol
• Exact Mass: 430.18
• IUPAC Name: N-[(Z)-2-[4-(3-imidazol-1-ylpiperidin-1-yl)pyrimidin-2-yl]-2-[5-(trifluoromethyl)-2H-pyrazin-1-yl]ethenyl]methanimine
• SMILES: C=N/C=C(/c1nccc(N2CCCC(n3ccnc3)C2)n1)N1C=C(C(F)(F)F)N=CC1
• InChI: InChI=1S/C20H21F3N8/c1-24-11-16(29-10-7-26-17(13-29)20(21,22)23)19-27-5-4-18(28-19)30-8-2-3-15(12-30)31-9-6-25-14-31/h4-7,9,11,13-15H,1-3,8,10,12H2/b16-11-
• InChIKey: JOOIJOITFFJIMB-WJDWOHSUSA-N
• XLogP: 3.30
• TPSA: 74.80 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.44
LogP ≤ 5	3.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-[4-(3-imidazol-1-ylpiperidin-1-yl)pyrimidin-2-yl]-2-[5-(trifluoromethyl)-2H-pyrazin-1-yl]ethenyl]methanimine?

The IUPAC name of N-[(Z)-2-[4-(3-imidazol-1-ylpiperidin-1-yl)pyrimidin-2-yl]-2-[5-(trifluoromethyl)-2H-pyrazin-1-yl]ethenyl]methanimine (CID 139358660) is N-[(Z)-2-[4-(3-imidazol-1-ylpiperidin-1-yl)pyrimidin-2-yl]-2-[5-(trifluoromethyl)-2H-pyrazin-1-yl]ethenyl]methanimine.

What is the SMILES notation for N-[(Z)-2-[4-(3-imidazol-1-ylpiperidin-1-yl)pyrimidin-2-yl]-2-[5-(trifluoromethyl)-2H-pyrazin-1-yl]ethenyl]methanimine?

The canonical SMILES for N-[(Z)-2-[4-(3-imidazol-1-ylpiperidin-1-yl)pyrimidin-2-yl]-2-[5-(trifluoromethyl)-2H-pyrazin-1-yl]ethenyl]methanimine is C=N/C=C(/c1nccc(N2CCCC(n3ccnc3)C2)n1)N1C=C(C(F)(F)F)N=CC1.

What is the InChIKey of N-[(Z)-2-[4-(3-imidazol-1-ylpiperidin-1-yl)pyrimidin-2-yl]-2-[5-(trifluoromethyl)-2H-pyrazin-1-yl]ethenyl]methanimine?

The InChIKey is JOOIJOITFFJIMB-WJDWOHSUSA-N. The full InChI is InChI=1S/C20H21F3N8/c1-24-11-16(29-10-7-26-17(13-29)20(21,22)23)19-27-5-4-18(28-19)30-8-2-3-15(12-30)31-9-6-25-14-31/h4-7,9,11,13-15H,1-3,8,10,12H2/b16-11-.

What are the key properties of N-[(Z)-2-[4-(3-imidazol-1-ylpiperidin-1-yl)pyrimidin-2-yl]-2-[5-(trifluoromethyl)-2H-pyrazin-1-yl]ethenyl]methanimine?

N-[(Z)-2-[4-(3-imidazol-1-ylpiperidin-1-yl)pyrimidin-2-yl]-2-[5-(trifluoromethyl)-2H-pyrazin-1-yl]ethenyl]methanimine has a molecular weight of 430.44 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(Z)-2-[4-(3-imidazol-1-ylpiperidin-1-yl)pyrimidin-2-yl]-2-[5-(trifluoromethyl)-2H-pyrazin-1-yl]ethenyl]methanimine is sourced from PubChem (CID 139358660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).