(2S,4R,5S)-N-[[2-cyclopropyl-6-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrimidin-4-yl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidine-2-carboxamide;molecular hydrogen

C25H29F5N4O4S — CID 145136316

About (2S,4R,5S)-N-[[2-cyclopropyl-6-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrimidin-4-yl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidine-2-carboxamide;molecular hydrogen

(2S,4R,5S)-N-[[2-cyclopropyl-6-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrimidin-4-yl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidine-2-carboxamide;molecular hydrogen (PubChem CID 145136316) has the molecular formula C25H29F5N4O4S and a molecular weight of 576.59 g/mol. Its IUPAC name is (2S,4R,5S)-N-[[2-cyclopropyl-6-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrimidin-4-yl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidine-2-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: (2S,4R,5S)-N-[[2-cyclopropyl-6-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrimidin-4-yl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidine-2-carboxamide;molecular hydrogen
• PubChem CID: 145136316
• Molecular Formula: C25H29F5N4O4S
• Molecular Weight: 576.59 g/mol
• Exact Mass: 576.18
• IUPAC Name: (2S,4R,5S)-N-[[2-cyclopropyl-6-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrimidin-4-yl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidine-2-carboxamide;molecular hydrogen
• SMILES: C[C@H]1[C@H](F)C[C@@H](C(=O)NCc2cc(OCC3(C(F)(F)F)CC3)nc(C3CC3)n2)N1S(=O)(=O)c1ccc(F)cc1.[H][H]
• InChI: InChI=1S/C25H27F5N4O4S.H2/c1-14-19(27)11-20(34(14)39(36,37)18-6-4-16(26)5-7-18)23(35)31-12-17-10-21(33-22(32-17)15-2-3-15)38-13-24(8-9-24)25(28,29)30;/h4-7,10,14-15,19-20H,2-3,8-9,11-13H2,1H3,(H,31,35);1H/t14-,19+,20-;/m0./s1
• InChIKey: KHOLANZWEYAMMN-MCMXEWTISA-N
• XLogP: 4.27
• TPSA: 101.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	576.59
LogP ≤ 5	4.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2S,4R,5S)-N-[[2-cyclopropyl-6-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrimidin-4-yl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidine-2-carboxamide;molecular hydrogen?

The IUPAC name of (2S,4R,5S)-N-[[2-cyclopropyl-6-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrimidin-4-yl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidine-2-carboxamide;molecular hydrogen (CID 145136316) is (2S,4R,5S)-N-[[2-cyclopropyl-6-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrimidin-4-yl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidine-2-carboxamide;molecular hydrogen.

What is the SMILES notation for (2S,4R,5S)-N-[[2-cyclopropyl-6-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrimidin-4-yl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidine-2-carboxamide;molecular hydrogen?

The canonical SMILES for (2S,4R,5S)-N-[[2-cyclopropyl-6-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrimidin-4-yl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidine-2-carboxamide;molecular hydrogen is C[C@H]1[C@H](F)C[C@@H](C(=O)NCc2cc(OCC3(C(F)(F)F)CC3)nc(C3CC3)n2)N1S(=O)(=O)c1ccc(F)cc1.[H][H].

What is the InChIKey of (2S,4R,5S)-N-[[2-cyclopropyl-6-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrimidin-4-yl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidine-2-carboxamide;molecular hydrogen?

The InChIKey is KHOLANZWEYAMMN-MCMXEWTISA-N. The full InChI is InChI=1S/C25H27F5N4O4S.H2/c1-14-19(27)11-20(34(14)39(36,37)18-6-4-16(26)5-7-18)23(35)31-12-17-10-21(33-22(32-17)15-2-3-15)38-13-24(8-9-24)25(28,29)30;/h4-7,10,14-15,19-20H,2-3,8-9,11-13H2,1H3,(H,31,35);1H/t14-,19+,20-;/m0./s1.

What are the key properties of (2S,4R,5S)-N-[[2-cyclopropyl-6-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrimidin-4-yl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidine-2-carboxamide;molecular hydrogen?

(2S,4R,5S)-N-[[2-cyclopropyl-6-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrimidin-4-yl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidine-2-carboxamide;molecular hydrogen has a molecular weight of 576.59 g/mol, XLogP of 4.27, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,4R,5S)-N-[[2-cyclopropyl-6-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrimidin-4-yl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidine-2-carboxamide;molecular hydrogen is sourced from PubChem (CID 145136316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).