1-[(2R,3S)-3-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[6-methyl-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]propan-1-one

C24H21F5N4O3S — CID 147797862

About 1-[(2R,3S)-3-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[6-methyl-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]propan-1-one

1-[(2R,3S)-3-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[6-methyl-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]propan-1-one (PubChem CID 147797862) has the molecular formula C24H21F5N4O3S and a molecular weight of 540.51 g/mol. Its IUPAC name is 1-[(2R,3S)-3-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[6-methyl-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]propan-1-one.

Molecular Properties

• Compound Name: 1-[(2R,3S)-3-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[6-methyl-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]propan-1-one
• PubChem CID: 147797862
• Molecular Formula: C24H21F5N4O3S
• Molecular Weight: 540.51 g/mol
• Exact Mass: 540.13
• IUPAC Name: 1-[(2R,3S)-3-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[6-methyl-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]propan-1-one
• SMILES: Cc1cc(-c2cnc(C(F)(F)F)nc2)cc(CCC(=O)[C@@H]2[C@@H](F)CCN2S(=O)(=O)c2ccc(F)cc2)n1
• InChI: InChI=1S/C24H21F5N4O3S/c1-14-10-15(16-12-30-23(31-13-16)24(27,28)29)11-18(32-14)4-7-21(34)22-20(26)8-9-33(22)37(35,36)19-5-2-17(25)3-6-19/h2-3,5-6,10-13,20,22H,4,7-9H2,1H3/t20-,22-/m0/s1
• InChIKey: HKXRCAYFPUSZAD-UNMCSNQZSA-N
• XLogP: 4.31
• TPSA: 93.12 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	540.51
LogP ≤ 5	4.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3S)-3-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[6-methyl-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]propan-1-one?

The IUPAC name of 1-[(2R,3S)-3-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[6-methyl-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]propan-1-one (CID 147797862) is 1-[(2R,3S)-3-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[6-methyl-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]propan-1-one.

What is the SMILES notation for 1-[(2R,3S)-3-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[6-methyl-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]propan-1-one?

The canonical SMILES for 1-[(2R,3S)-3-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[6-methyl-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]propan-1-one is Cc1cc(-c2cnc(C(F)(F)F)nc2)cc(CCC(=O)[C@@H]2[C@@H](F)CCN2S(=O)(=O)c2ccc(F)cc2)n1.

What is the InChIKey of 1-[(2R,3S)-3-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[6-methyl-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]propan-1-one?

The InChIKey is HKXRCAYFPUSZAD-UNMCSNQZSA-N. The full InChI is InChI=1S/C24H21F5N4O3S/c1-14-10-15(16-12-30-23(31-13-16)24(27,28)29)11-18(32-14)4-7-21(34)22-20(26)8-9-33(22)37(35,36)19-5-2-17(25)3-6-19/h2-3,5-6,10-13,20,22H,4,7-9H2,1H3/t20-,22-/m0/s1.

What are the key properties of 1-[(2R,3S)-3-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[6-methyl-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]propan-1-one?

1-[(2R,3S)-3-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[6-methyl-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]propan-1-one has a molecular weight of 540.51 g/mol, XLogP of 4.31, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R,3S)-3-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[6-methyl-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]propan-1-one is sourced from PubChem (CID 147797862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).