N-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine

C19H20F6N8O2S — CID 155688443

About N-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine

N-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 155688443) has the molecular formula C19H20F6N8O2S and a molecular weight of 538.48 g/mol. Its IUPAC name is N-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

• Compound Name: N-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine
• PubChem CID: 155688443
• Molecular Formula: C19H20F6N8O2S
• Molecular Weight: 538.48 g/mol
• Exact Mass: 538.13
• IUPAC Name: N-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine
• SMILES: Cn1cnc(S(=O)(=O)N2CCC(Nc3ncc(C(F)(F)F)c(-c4cnn(CC(F)(F)F)c4)n3)CC2)c1
• InChI: InChI=1S/C19H20F6N8O2S/c1-31-9-15(27-11-31)36(34,35)33-4-2-13(3-5-33)29-17-26-7-14(19(23,24)25)16(30-17)12-6-28-32(8-12)10-18(20,21)22/h6-9,11,13H,2-5,10H2,1H3,(H,26,29,30)
• InChIKey: GDZVTFLLGJNTRE-UHFFFAOYSA-N
• XLogP: 2.92
• TPSA: 110.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	538.48
LogP ≤ 5	2.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine?

The IUPAC name of N-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine (CID 155688443) is N-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine.

What is the SMILES notation for N-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine?

The canonical SMILES for N-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine is Cn1cnc(S(=O)(=O)N2CCC(Nc3ncc(C(F)(F)F)c(-c4cnn(CC(F)(F)F)c4)n3)CC2)c1.

What is the InChIKey of N-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine?

The InChIKey is GDZVTFLLGJNTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F6N8O2S/c1-31-9-15(27-11-31)36(34,35)33-4-2-13(3-5-33)29-17-26-7-14(19(23,24)25)16(30-17)12-6-28-32(8-12)10-18(20,21)22/h6-9,11,13H,2-5,10H2,1H3,(H,26,29,30).

What are the key properties of N-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine?

N-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 538.48 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 155688443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).