N-[3-[(2R)-1-[6-(4-methylimidazol-1-yl)pyrazin-2-yl]propan-2-yl]phenyl]-3-(trifluoromethyl)benzamide

C25H22F3N5O — CID 158648039

About N-[3-[(2R)-1-[6-(4-methylimidazol-1-yl)pyrazin-2-yl]propan-2-yl]phenyl]-3-(trifluoromethyl)benzamide

N-[3-[(2R)-1-[6-(4-methylimidazol-1-yl)pyrazin-2-yl]propan-2-yl]phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 158648039) has the molecular formula C25H22F3N5O and a molecular weight of 465.48 g/mol. Its IUPAC name is N-[3-[(2R)-1-[6-(4-methylimidazol-1-yl)pyrazin-2-yl]propan-2-yl]phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

• Compound Name: N-[3-[(2R)-1-[6-(4-methylimidazol-1-yl)pyrazin-2-yl]propan-2-yl]phenyl]-3-(trifluoromethyl)benzamide
• PubChem CID: 158648039
• Molecular Formula: C25H22F3N5O
• Molecular Weight: 465.48 g/mol
• Exact Mass: 465.18
• IUPAC Name: N-[3-[(2R)-1-[6-(4-methylimidazol-1-yl)pyrazin-2-yl]propan-2-yl]phenyl]-3-(trifluoromethyl)benzamide
• SMILES: Cc1cn(-c2cncc(C[C@@H](C)c3cccc(NC(=O)c4cccc(C(F)(F)F)c4)c3)n2)cn1
• InChI: InChI=1S/C25H22F3N5O/c1-16(9-22-12-29-13-23(31-22)33-14-17(2)30-15-33)18-5-4-8-21(11-18)32-24(34)19-6-3-7-20(10-19)25(26,27)28/h3-8,10-16H,9H2,1-2H3,(H,32,34)/t16-/m1/s1
• InChIKey: IBFAROGPUCVFQI-MRXNPFEDSA-N
• XLogP: 5.59
• TPSA: 72.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	465.48
LogP ≤ 5	5.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2R)-1-[6-(4-methylimidazol-1-yl)pyrazin-2-yl]propan-2-yl]phenyl]-3-(trifluoromethyl)benzamide?

The IUPAC name of N-[3-[(2R)-1-[6-(4-methylimidazol-1-yl)pyrazin-2-yl]propan-2-yl]phenyl]-3-(trifluoromethyl)benzamide (CID 158648039) is N-[3-[(2R)-1-[6-(4-methylimidazol-1-yl)pyrazin-2-yl]propan-2-yl]phenyl]-3-(trifluoromethyl)benzamide.

What is the SMILES notation for N-[3-[(2R)-1-[6-(4-methylimidazol-1-yl)pyrazin-2-yl]propan-2-yl]phenyl]-3-(trifluoromethyl)benzamide?

The canonical SMILES for N-[3-[(2R)-1-[6-(4-methylimidazol-1-yl)pyrazin-2-yl]propan-2-yl]phenyl]-3-(trifluoromethyl)benzamide is Cc1cn(-c2cncc(C[C@@H](C)c3cccc(NC(=O)c4cccc(C(F)(F)F)c4)c3)n2)cn1.

What is the InChIKey of N-[3-[(2R)-1-[6-(4-methylimidazol-1-yl)pyrazin-2-yl]propan-2-yl]phenyl]-3-(trifluoromethyl)benzamide?

The InChIKey is IBFAROGPUCVFQI-MRXNPFEDSA-N. The full InChI is InChI=1S/C25H22F3N5O/c1-16(9-22-12-29-13-23(31-22)33-14-17(2)30-15-33)18-5-4-8-21(11-18)32-24(34)19-6-3-7-20(10-19)25(26,27)28/h3-8,10-16H,9H2,1-2H3,(H,32,34)/t16-/m1/s1.

What are the key properties of N-[3-[(2R)-1-[6-(4-methylimidazol-1-yl)pyrazin-2-yl]propan-2-yl]phenyl]-3-(trifluoromethyl)benzamide?

N-[3-[(2R)-1-[6-(4-methylimidazol-1-yl)pyrazin-2-yl]propan-2-yl]phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 465.48 g/mol, XLogP of 5.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(2R)-1-[6-(4-methylimidazol-1-yl)pyrazin-2-yl]propan-2-yl]phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 158648039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).