5-cyclopropyl-3-ethylsulfonyl-2-[1-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)imidazol-2-yl]pyridine;5-ethylsulfonyl-4-[5-(1,1,2,2,3,3,3-heptafluoropropyl)-1-methylimidazol-2-yl]-2-(1-methyl-1,2,4-triazol-3-yl)pyrimidine;5-ethylsulfonyl-4-[1-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)imidazol-2-yl]-2-(1-methyl-1,2,4-triazol-3-yl)pyrimidine;2-[5-ethylsulfonyl-6-[1-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)imidazol-2-yl]-3-pyridinyl]pyrimidine;2-[5-ethylsulfonyl-4-[1-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)imidazol-2-yl]pyrimidin-2-yl]-1,2,4-triazol-3-amine

C86H71F43N30O10S5 — CID 163838809

About 5-cyclopropyl-3-ethylsulfonyl-2-[1-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)imidazol-2-yl]pyridine;5-ethylsulfonyl-4-[5-(1,1,2,2,3,3,3-heptafluoropropyl)-1-methylimidazol-2-yl]-2-(1-methyl-1,2,4-triazol-3-yl)pyrimidine;5-ethylsulfonyl-4-[1-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)imidazol-2-yl]-2-(1-methyl-1,2,4-triazol-3-yl)pyrimidine;2-[5-ethylsulfonyl-6-[1-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)imidazol-2-yl]-3-pyridinyl]pyrimidine;2-[5-ethylsulfonyl-4-[1-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)imidazol-2-yl]pyrimidin-2-yl]-1,2,4-triazol-3-amine

5-cyclopropyl-3-ethylsulfonyl-2-[1-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)imidazol-2-yl]pyridine;5-ethylsulfonyl-4-[5-(1,1,2,2,3,3,3-heptafluoropropyl)-1-methylimidazol-2-yl]-2-(1-methyl-1,2,4-triazol-3-yl)pyrimidine;5-ethylsulfonyl-4-[1-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)imidazol-2-yl]-2-(1-methyl-1,2,4-triazol-3-yl)pyrimidine;2-[5-ethylsulfonyl-6-[1-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)imidazol-2-yl]-3-pyridinyl]pyrimidine;2-[5-ethylsulfonyl-4-[1-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)imidazol-2-yl]pyrimidin-2-yl]-1,2,4-triazol-3-amine (PubChem CID 163838809) has the molecular formula C86H71F43N30O10S5 and a molecular weight of 2661.96 g/mol. Its IUPAC name is 5-cyclopropyl-3-ethylsulfonyl-2-[1-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)imidazol-2-yl]pyridine;5-ethylsulfonyl-4-[5-(1,1,2,2,3,3,3-heptafluoropropyl)-1-methylimidazol-2-yl]-2-(1-methyl-1,2,4-triazol-3-yl)pyrimidine;5-ethylsulfonyl-4-[1-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)imidazol-2-yl]-2-(1-methyl-1,2,4-triazol-3-yl)pyrimidine;2-[5-ethylsulfonyl-6-[1-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)imidazol-2-yl]-3-pyridinyl]pyrimidine;2-[5-ethylsulfonyl-4-[1-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)imidazol-2-yl]pyrimidin-2-yl]-1,2,4-triazol-3-amine.

Molecular Properties

• Compound Name: 5-cyclopropyl-3-ethylsulfonyl-2-[1-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)imidazol-2-yl]pyridine;5-ethylsulfonyl-4-[5-(1,1,2,2,3,3,3-heptafluoropropyl)-1-methylimidazol-2-yl]-2-(1-methyl-1,2,4-triazol-3-yl)pyrimidine;5-ethylsulfonyl-4-[1-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)imidazol-2-yl]-2-(1-methyl-1,2,4-triazol-3-yl)pyrimidine;2-[5-ethylsulfonyl-6-[1-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)imidazol-2-yl]-3-pyridinyl]pyrimidine;2-[5-ethylsulfonyl-4-[1-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)imidazol-2-yl]pyrimidin-2-yl]-1,2,4-triazol-3-amine
• PubChem CID: 163838809
• Molecular Formula: C86H71F43N30O10S5
• Molecular Weight: 2661.96 g/mol
• Exact Mass: 2660.39
• IUPAC Name: 5-cyclopropyl-3-ethylsulfonyl-2-[1-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)imidazol-2-yl]pyridine;5-ethylsulfonyl-4-[5-(1,1,2,2,3,3,3-heptafluoropropyl)-1-methylimidazol-2-yl]-2-(1-methyl-1,2,4-triazol-3-yl)pyrimidine;5-ethylsulfonyl-4-[1-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)imidazol-2-yl]-2-(1-methyl-1,2,4-triazol-3-yl)pyrimidine;2-[5-ethylsulfonyl-6-[1-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)imidazol-2-yl]-3-pyridinyl]pyrimidine;2-[5-ethylsulfonyl-4-[1-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)imidazol-2-yl]pyrimidin-2-yl]-1,2,4-triazol-3-amine
• SMILES: CCS(=O)(=O)c1cc(-c2ncccn2)cnc1-c1ncc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)n1C.CCS(=O)(=O)c1cc(C2CC2)cnc1-c1ncc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)n1C.CCS(=O)(=O)c1cnc(-c2ncn(C)n2)nc1-c1ncc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)n1C.CCS(=O)(=O)c1cnc(-c2ncn(C)n2)nc1-c1ncc(C(F)(F)C(F)(F)C(F)(F)F)n1C.CCS(=O)(=O)c1cnc(-n2ncnc2N)nc1-c1ncc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)n1C
• InChI: InChI=1S/C19H14F9N5O2S.C18H16F9N3O2S.C17H14F9N7O2S.C16H13F9N8O2S.C16H14F7N7O2S/c1-3-36(34,35)11-7-10(14-29-5-4-6-30-14)8-31-13(11)15-32-9-12(33(15)2)16(20,21)17(22,23)18(24,25)19(26,27)28;1-3-33(31,32)11-6-10(9-4-5-9)7-28-13(11)14-29-8-12(30(14)2)15(19,20)16(21,22)17(23,24)18(25,26)27;1-4-36(34,35)8-5-27-11(12-29-7-32(2)31-12)30-10(8)13-28-6-9(33(13)3)14(18,19)15(20,21)16(22,23)17(24,25)26;1-3-36(34,35)7-4-28-12(33-11(26)29-6-30-33)31-9(7)10-27-5-8(32(10)2)13(17,18)14(19,20)15(21,22)16(23,24)25;1-4-33(31,32)8-5-24-11(12-26-7-29(2)28-12)27-10(8)13-25-6-9(30(13)3)14(17,18)15(19,20)16(21,22)23/h4-9H,3H2,1-2H3;6-9H,3-5H2,1-2H3;5-7H,4H2,1-3H3;4-6H,3H2,1-2H3,(H2,26,29,30);5-7H,4H2,1-3H3
• InChIKey: OKCNHYWAAIFKDG-UHFFFAOYSA-N
• XLogP: 18.64
• TPSA: 506.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 40
• Rotatable Bonds: 34
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2661.96
LogP ≤ 5	18.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-ethylsulfonyl-2-[1-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)imidazol-2-yl]pyridine;5-ethylsulfonyl-4-[5-(1,1,2,2,3,3,3-heptafluoropropyl)-1-methylimidazol-2-yl]-2-(1-methyl-1,2,4-triazol-3-yl)pyrimidine;5-ethylsulfonyl-4-[1-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)imidazol-2-yl]-2-(1-methyl-1,2,4-triazol-3-yl)pyrimidine;2-[5-ethylsulfonyl-6-[1-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)imidazol-2-yl]-3-pyridinyl]pyrimidine;2-[5-ethylsulfonyl-4-[1-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)imidazol-2-yl]pyrimidin-2-yl]-1,2,4-triazol-3-amine?

The IUPAC name of 5-cyclopropyl-3-ethylsulfonyl-2-[1-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)imidazol-2-yl]pyridine;5-ethylsulfonyl-4-[5-(1,1,2,2,3,3,3-heptafluoropropyl)-1-methylimidazol-2-yl]-2-(1-methyl-1,2,4-triazol-3-yl)pyrimidine;5-ethylsulfonyl-4-[1-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)imidazol-2-yl]-2-(1-methyl-1,2,4-triazol-3-yl)pyrimidine;2-[5-ethylsulfonyl-6-[1-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)imidazol-2-yl]-3-pyridinyl]pyrimidine;2-[5-ethylsulfonyl-4-[1-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)imidazol-2-yl]pyrimidin-2-yl]-1,2,4-triazol-3-amine (CID 163838809) is 5-cyclopropyl-3-ethylsulfonyl-2-[1-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)imidazol-2-yl]pyridine;5-ethylsulfonyl-4-[5-(1,1,2,2,3,3,3-heptafluoropropyl)-1-methylimidazol-2-yl]-2-(1-methyl-1,2,4-triazol-3-yl)pyrimidine;5-ethylsulfonyl-4-[1-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)imidazol-2-yl]-2-(1-methyl-1,2,4-triazol-3-yl)pyrimidine;2-[5-ethylsulfonyl-6-[1-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)imidazol-2-yl]-3-pyridinyl]pyrimidine;2-[5-ethylsulfonyl-4-[1-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)imidazol-2-yl]pyrimidin-2-yl]-1,2,4-triazol-3-amine.

What is the SMILES notation for 5-cyclopropyl-3-ethylsulfonyl-2-[1-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)imidazol-2-yl]pyridine;5-ethylsulfonyl-4-[5-(1,1,2,2,3,3,3-heptafluoropropyl)-1-methylimidazol-2-yl]-2-(1-methyl-1,2,4-triazol-3-yl)pyrimidine;5-ethylsulfonyl-4-[1-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)imidazol-2-yl]-2-(1-methyl-1,2,4-triazol-3-yl)pyrimidine;2-[5-ethylsulfonyl-6-[1-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)imidazol-2-yl]-3-pyridinyl]pyrimidine;2-[5-ethylsulfonyl-4-[1-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)imidazol-2-yl]pyrimidin-2-yl]-1,2,4-triazol-3-amine?

The canonical SMILES for 5-cyclopropyl-3-ethylsulfonyl-2-[1-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)imidazol-2-yl]pyridine;5-ethylsulfonyl-4-[5-(1,1,2,2,3,3,3-heptafluoropropyl)-1-methylimidazol-2-yl]-2-(1-methyl-1,2,4-triazol-3-yl)pyrimidine;5-ethylsulfonyl-4-[1-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)imidazol-2-yl]-2-(1-methyl-1,2,4-triazol-3-yl)pyrimidine;2-[5-ethylsulfonyl-6-[1-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)imidazol-2-yl]-3-pyridinyl]pyrimidine;2-[5-ethylsulfonyl-4-[1-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)imidazol-2-yl]pyrimidin-2-yl]-1,2,4-triazol-3-amine is CCS(=O)(=O)c1cc(-c2ncccn2)cnc1-c1ncc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)n1C.CCS(=O)(=O)c1cc(C2CC2)cnc1-c1ncc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)n1C.CCS(=O)(=O)c1cnc(-c2ncn(C)n2)nc1-c1ncc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)n1C.CCS(=O)(=O)c1cnc(-c2ncn(C)n2)nc1-c1ncc(C(F)(F)C(F)(F)C(F)(F)F)n1C.CCS(=O)(=O)c1cnc(-n2ncnc2N)nc1-c1ncc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)n1C.

What is the InChIKey of 5-cyclopropyl-3-ethylsulfonyl-2-[1-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)imidazol-2-yl]pyridine;5-ethylsulfonyl-4-[5-(1,1,2,2,3,3,3-heptafluoropropyl)-1-methylimidazol-2-yl]-2-(1-methyl-1,2,4-triazol-3-yl)pyrimidine;5-ethylsulfonyl-4-[1-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)imidazol-2-yl]-2-(1-methyl-1,2,4-triazol-3-yl)pyrimidine;2-[5-ethylsulfonyl-6-[1-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)imidazol-2-yl]-3-pyridinyl]pyrimidine;2-[5-ethylsulfonyl-4-[1-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)imidazol-2-yl]pyrimidin-2-yl]-1,2,4-triazol-3-amine?

The InChIKey is OKCNHYWAAIFKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F9N5O2S.C18H16F9N3O2S.C17H14F9N7O2S.C16H13F9N8O2S.C16H14F7N7O2S/c1-3-36(34,35)11-7-10(14-29-5-4-6-30-14)8-31-13(11)15-32-9-12(33(15)2)16(20,21)17(22,23)18(24,25)19(26,27)28;1-3-33(31,32)11-6-10(9-4-5-9)7-28-13(11)14-29-8-12(30(14)2)15(19,20)16(21,22)17(23,24)18(25,26)27;1-4-36(34,35)8-5-27-11(12-29-7-32(2)31-12)30-10(8)13-28-6-9(33(13)3)14(18,19)15(20,21)16(22,23)17(24,25)26;1-3-36(34,35)7-4-28-12(33-11(26)29-6-30-33)31-9(7)10-27-5-8(32(10)2)13(17,18)14(19,20)15(21,22)16(23,24)25;1-4-33(31,32)8-5-24-11(12-26-7-29(2)28-12)27-10(8)13-25-6-9(30(13)3)14(17,18)15(19,20)16(21,22)23/h4-9H,3H2,1-2H3;6-9H,3-5H2,1-2H3;5-7H,4H2,1-3H3;4-6H,3H2,1-2H3,(H2,26,29,30);5-7H,4H2,1-3H3.

What are the key properties of 5-cyclopropyl-3-ethylsulfonyl-2-[1-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)imidazol-2-yl]pyridine;5-ethylsulfonyl-4-[5-(1,1,2,2,3,3,3-heptafluoropropyl)-1-methylimidazol-2-yl]-2-(1-methyl-1,2,4-triazol-3-yl)pyrimidine;5-ethylsulfonyl-4-[1-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)imidazol-2-yl]-2-(1-methyl-1,2,4-triazol-3-yl)pyrimidine;2-[5-ethylsulfonyl-6-[1-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)imidazol-2-yl]-3-pyridinyl]pyrimidine;2-[5-ethylsulfonyl-4-[1-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)imidazol-2-yl]pyrimidin-2-yl]-1,2,4-triazol-3-amine?

5-cyclopropyl-3-ethylsulfonyl-2-[1-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)imidazol-2-yl]pyridine;5-ethylsulfonyl-4-[5-(1,1,2,2,3,3,3-heptafluoropropyl)-1-methylimidazol-2-yl]-2-(1-methyl-1,2,4-triazol-3-yl)pyrimidine;5-ethylsulfonyl-4-[1-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)imidazol-2-yl]-2-(1-methyl-1,2,4-triazol-3-yl)pyrimidine;2-[5-ethylsulfonyl-6-[1-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)imidazol-2-yl]-3-pyridinyl]pyrimidine;2-[5-ethylsulfonyl-4-[1-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)imidazol-2-yl]pyrimidin-2-yl]-1,2,4-triazol-3-amine has a molecular weight of 2661.96 g/mol, XLogP of 18.64, 34 rotatable bonds, 1 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyclopropyl-3-ethylsulfonyl-2-[1-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)imidazol-2-yl]pyridine;5-ethylsulfonyl-4-[5-(1,1,2,2,3,3,3-heptafluoropropyl)-1-methylimidazol-2-yl]-2-(1-methyl-1,2,4-triazol-3-yl)pyrimidine;5-ethylsulfonyl-4-[1-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)imidazol-2-yl]-2-(1-methyl-1,2,4-triazol-3-yl)pyrimidine;2-[5-ethylsulfonyl-6-[1-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)imidazol-2-yl]-3-pyridinyl]pyrimidine;2-[5-ethylsulfonyl-4-[1-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)imidazol-2-yl]pyrimidin-2-yl]-1,2,4-triazol-3-amine is sourced from PubChem (CID 163838809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).