[(1R)-1-(2-fluorophenyl)ethyl] 2-[5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(3-fluorophenyl)ethyl] 2-[5-[5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(3-methylphenyl)ethyl] 2-[5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]acetate;(3-methylphenyl)methyl 2-[5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1S)-2,2,2-trifluoro-1-phenylethyl] 2-[5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]acetate

C100H110F5N25O20S5 — CID 162189397

About [(1R)-1-(2-fluorophenyl)ethyl] 2-[5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(3-fluorophenyl)ethyl] 2-[5-[5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(3-methylphenyl)ethyl] 2-[5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]acetate;(3-methylphenyl)methyl 2-[5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1S)-2,2,2-trifluoro-1-phenylethyl] 2-[5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]acetate

[(1R)-1-(2-fluorophenyl)ethyl] 2-[5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(3-fluorophenyl)ethyl] 2-[5-[5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(3-methylphenyl)ethyl] 2-[5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]acetate;(3-methylphenyl)methyl 2-[5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1S)-2,2,2-trifluoro-1-phenylethyl] 2-[5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]acetate (PubChem CID 162189397) has the molecular formula C100H110F5N25O20S5 and a molecular weight of 2237.46 g/mol. Its IUPAC name is [(1R)-1-(2-fluorophenyl)ethyl] 2-[5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(3-fluorophenyl)ethyl] 2-[5-[5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(3-methylphenyl)ethyl] 2-[5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]acetate;(3-methylphenyl)methyl 2-[5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1S)-2,2,2-trifluoro-1-phenylethyl] 2-[5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]acetate.

Molecular Properties

• Compound Name: [(1R)-1-(2-fluorophenyl)ethyl] 2-[5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(3-fluorophenyl)ethyl] 2-[5-[5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(3-methylphenyl)ethyl] 2-[5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]acetate;(3-methylphenyl)methyl 2-[5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1S)-2,2,2-trifluoro-1-phenylethyl] 2-[5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]acetate
• PubChem CID: 162189397
• Molecular Formula: C100H110F5N25O20S5
• Molecular Weight: 2237.46 g/mol
• Exact Mass: 2235.69
• IUPAC Name: [(1R)-1-(2-fluorophenyl)ethyl] 2-[5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(3-fluorophenyl)ethyl] 2-[5-[5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(3-methylphenyl)ethyl] 2-[5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]acetate;(3-methylphenyl)methyl 2-[5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1S)-2,2,2-trifluoro-1-phenylethyl] 2-[5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]acetate
• SMILES: C[C@@H](OC(=O)Cc1c(-c2ccc(NS(C)(=O)=O)cn2)nnn1C)c1cccc(F)c1.Cc1cccc(COC(=O)Cc2c(-c3ccc(NS(C)(=O)=O)c(C)n3)nnn2C)c1.Cc1cccc([C@@H](C)OC(=O)Cc2c(-c3ccc(NS(C)(=O)=O)c(C)n3)nnn2C)c1.Cc1nc(-c2nnn(C)c2CC(=O)O[C@@H](c2ccccc2)C(F)(F)F)ccc1NS(C)(=O)=O.Cc1nc(-c2nnn(C)c2CC(=O)O[C@H](C)c2ccccc2F)ccc1NS(C)(=O)=O
• InChI: InChI=1S/C21H25N5O4S.C20H20F3N5O4S.C20H22FN5O4S.C20H23N5O4S.C19H20FN5O4S/c1-13-7-6-8-16(11-13)15(3)30-20(27)12-19-21(23-25-26(19)4)18-10-9-17(14(2)22-18)24-31(5,28)29;1-12-14(26-33(3,30)31)9-10-15(24-12)18-16(28(2)27-25-18)11-17(29)32-19(20(21,22)23)13-7-5-4-6-8-13;1-12-16(24-31(4,28)29)9-10-17(22-12)20-18(26(3)25-23-20)11-19(27)30-13(2)14-7-5-6-8-15(14)21;1-13-6-5-7-15(10-13)12-29-19(26)11-18-20(22-24-25(18)3)17-9-8-16(14(2)21-17)23-30(4,27)28;1-12(13-5-4-6-14(20)9-13)29-18(26)10-17-19(22-24-25(17)2)16-8-7-15(11-21-16)23-30(3,27)28/h6-11,15,24H,12H2,1-5H3;4-10,19,26H,11H2,1-3H3;5-10,13,24H,11H2,1-4H3;5-10,23H,11-12H2,1-4H3;4-9,11-12,23H,10H2,1-3H3/t15-;19-;13-;;12-/m101.1/s1
• InChIKey: ZQCDANRHKMUAGH-RMEYZUDYSA-N
• XLogP: 12.59
• TPSA: 580.35 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 40
• Rotatable Bonds: 35
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2237.46
LogP ≤ 5	12.59
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(2-fluorophenyl)ethyl] 2-[5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(3-fluorophenyl)ethyl] 2-[5-[5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(3-methylphenyl)ethyl] 2-[5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]acetate;(3-methylphenyl)methyl 2-[5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1S)-2,2,2-trifluoro-1-phenylethyl] 2-[5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]acetate?

The IUPAC name of [(1R)-1-(2-fluorophenyl)ethyl] 2-[5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(3-fluorophenyl)ethyl] 2-[5-[5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(3-methylphenyl)ethyl] 2-[5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]acetate;(3-methylphenyl)methyl 2-[5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1S)-2,2,2-trifluoro-1-phenylethyl] 2-[5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]acetate (CID 162189397) is [(1R)-1-(2-fluorophenyl)ethyl] 2-[5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(3-fluorophenyl)ethyl] 2-[5-[5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(3-methylphenyl)ethyl] 2-[5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]acetate;(3-methylphenyl)methyl 2-[5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1S)-2,2,2-trifluoro-1-phenylethyl] 2-[5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]acetate.

What is the SMILES notation for [(1R)-1-(2-fluorophenyl)ethyl] 2-[5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(3-fluorophenyl)ethyl] 2-[5-[5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(3-methylphenyl)ethyl] 2-[5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]acetate;(3-methylphenyl)methyl 2-[5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1S)-2,2,2-trifluoro-1-phenylethyl] 2-[5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]acetate?

The canonical SMILES for [(1R)-1-(2-fluorophenyl)ethyl] 2-[5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(3-fluorophenyl)ethyl] 2-[5-[5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(3-methylphenyl)ethyl] 2-[5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]acetate;(3-methylphenyl)methyl 2-[5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1S)-2,2,2-trifluoro-1-phenylethyl] 2-[5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]acetate is C[C@@H](OC(=O)Cc1c(-c2ccc(NS(C)(=O)=O)cn2)nnn1C)c1cccc(F)c1.Cc1cccc(COC(=O)Cc2c(-c3ccc(NS(C)(=O)=O)c(C)n3)nnn2C)c1.Cc1cccc([C@@H](C)OC(=O)Cc2c(-c3ccc(NS(C)(=O)=O)c(C)n3)nnn2C)c1.Cc1nc(-c2nnn(C)c2CC(=O)O[C@@H](c2ccccc2)C(F)(F)F)ccc1NS(C)(=O)=O.Cc1nc(-c2nnn(C)c2CC(=O)O[C@H](C)c2ccccc2F)ccc1NS(C)(=O)=O.

What is the InChIKey of [(1R)-1-(2-fluorophenyl)ethyl] 2-[5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(3-fluorophenyl)ethyl] 2-[5-[5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(3-methylphenyl)ethyl] 2-[5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]acetate;(3-methylphenyl)methyl 2-[5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1S)-2,2,2-trifluoro-1-phenylethyl] 2-[5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]acetate?

The InChIKey is ZQCDANRHKMUAGH-RMEYZUDYSA-N. The full InChI is InChI=1S/C21H25N5O4S.C20H20F3N5O4S.C20H22FN5O4S.C20H23N5O4S.C19H20FN5O4S/c1-13-7-6-8-16(11-13)15(3)30-20(27)12-19-21(23-25-26(19)4)18-10-9-17(14(2)22-18)24-31(5,28)29;1-12-14(26-33(3,30)31)9-10-15(24-12)18-16(28(2)27-25-18)11-17(29)32-19(20(21,22)23)13-7-5-4-6-8-13;1-12-16(24-31(4,28)29)9-10-17(22-12)20-18(26(3)25-23-20)11-19(27)30-13(2)14-7-5-6-8-15(14)21;1-13-6-5-7-15(10-13)12-29-19(26)11-18-20(22-24-25(18)3)17-9-8-16(14(2)21-17)23-30(4,27)28;1-12(13-5-4-6-14(20)9-13)29-18(26)10-17-19(22-24-25(17)2)16-8-7-15(11-21-16)23-30(3,27)28/h6-11,15,24H,12H2,1-5H3;4-10,19,26H,11H2,1-3H3;5-10,13,24H,11H2,1-4H3;5-10,23H,11-12H2,1-4H3;4-9,11-12,23H,10H2,1-3H3/t15-;19-;13-;;12-/m101.1/s1.

What are the key properties of [(1R)-1-(2-fluorophenyl)ethyl] 2-[5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(3-fluorophenyl)ethyl] 2-[5-[5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(3-methylphenyl)ethyl] 2-[5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]acetate;(3-methylphenyl)methyl 2-[5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1S)-2,2,2-trifluoro-1-phenylethyl] 2-[5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]acetate?

[(1R)-1-(2-fluorophenyl)ethyl] 2-[5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(3-fluorophenyl)ethyl] 2-[5-[5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(3-methylphenyl)ethyl] 2-[5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]acetate;(3-methylphenyl)methyl 2-[5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1S)-2,2,2-trifluoro-1-phenylethyl] 2-[5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]acetate has a molecular weight of 2237.46 g/mol, XLogP of 12.59, 35 rotatable bonds, 5 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R)-1-(2-fluorophenyl)ethyl] 2-[5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(3-fluorophenyl)ethyl] 2-[5-[5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(3-methylphenyl)ethyl] 2-[5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]acetate;(3-methylphenyl)methyl 2-[5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1S)-2,2,2-trifluoro-1-phenylethyl] 2-[5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]acetate is sourced from PubChem (CID 162189397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).