[(1R)-1-(2-chlorophenyl)ethyl] N-[5-[6-fluoro-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;[(1S)-2,2-difluoro-1-phenylethyl] N-[5-[6-fluoro-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;[(1S)-2,2-difluoro-1-phenylethyl] N-[5-[5-(methanesulfonamido)-6-methoxy-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;[(1R)-1-phenylethyl] N-[5-[5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate

C₇₃H₇₅ClF₆N₂₄O₁₇S₄ — CID 157418867

About [(1R)-1-(2-chlorophenyl)ethyl] N-[5-[6-fluoro-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;[(1S)-2,2-difluoro-1-phenylethyl] N-[5-[6-fluoro-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;[(1S)-2,2-difluoro-1-phenylethyl] N-[5-[5-(methanesulfonamido)-6-methoxy-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;[(1R)-1-phenylethyl] N-[5-[5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate

[(1R)-1-(2-chlorophenyl)ethyl] N-[5-[6-fluoro-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;[(1S)-2,2-difluoro-1-phenylethyl] N-[5-[6-fluoro-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;[(1S)-2,2-difluoro-1-phenylethyl] N-[5-[5-(methanesulfonamido)-6-methoxy-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;[(1R)-1-phenylethyl] N-[5-[5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate (PubChem CID 157418867) has the molecular formula C₇₃H₇₅ClF₆N₂₄O₁₇S₄ and a molecular weight of 1838.26 g/mol. Its IUPAC name is [(1R)-1-(2-chlorophenyl)ethyl] N-[5-[6-fluoro-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;[(1S)-2,2-difluoro-1-phenylethyl] N-[5-[6-fluoro-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;[(1S)-2,2-difluoro-1-phenylethyl] N-[5-[5-(methanesulfonamido)-6-methoxy-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;[(1R)-1-phenylethyl] N-[5-[5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate.

Molecular Properties

• Compound Name: [(1R)-1-(2-chlorophenyl)ethyl] N-[5-[6-fluoro-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;[(1S)-2,2-difluoro-1-phenylethyl] N-[5-[6-fluoro-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;[(1S)-2,2-difluoro-1-phenylethyl] N-[5-[5-(methanesulfonamido)-6-methoxy-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;[(1R)-1-phenylethyl] N-[5-[5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate
• PubChem CID: 157418867
• Molecular Formula: C₇₃H₇₅ClF₆N₂₄O₁₇S₄
• Molecular Weight: 1838.26 g/mol
• Exact Mass: 1836.42
• IUPAC Name: [(1R)-1-(2-chlorophenyl)ethyl] N-[5-[6-fluoro-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;[(1S)-2,2-difluoro-1-phenylethyl] N-[5-[6-fluoro-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;[(1S)-2,2-difluoro-1-phenylethyl] N-[5-[5-(methanesulfonamido)-6-methoxy-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;[(1R)-1-phenylethyl] N-[5-[5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate
• SMILES: COc1nc(-c2nnn(C)c2NC(=O)O[C@@H](c2ccccc2)C(F)F)ccc1NS(C)(=O)=O.C[C@@H](OC(=O)Nc1c(-c2ccc(NS(C)(=O)=O)c(F)n2)nnn1C)c1ccccc1Cl.C[C@@H](OC(=O)Nc1c(-c2ccc(NS(C)(=O)=O)cn2)nnn1C)c1ccccc1.Cn1nnc(-c2ccc(NS(C)(=O)=O)c(F)n2)c1NC(=O)O[C@@H](c1ccccc1)C(F)F
• InChI: InChI=1S/C19H20F2N6O5S.C18H18ClFN6O4S.C18H17F3N6O4S.C18H20N6O4S/c1-27-17(23-19(28)32-15(16(20)21)11-7-5-4-6-8-11)14(24-26-27)12-9-10-13(18(22-12)31-2)25-33(3,29)30;1-10(11-6-4-5-7-12(11)19)30-18(27)22-17-15(23-25-26(17)2)13-8-9-14(16(20)21-13)24-31(3,28)29;1-27-17(23-18(28)31-14(15(19)20)10-6-4-3-5-7-10)13(24-26-27)11-8-9-12(16(21)22-11)25-32(2,29)30;1-12(13-7-5-4-6-8-13)28-18(25)20-17-16(21-23-24(17)2)15-10-9-14(11-19-15)22-29(3,26)27/h4-10,15-16,25H,1-3H3,(H,23,28);4-10,24H,1-3H3,(H,22,27);3-9,14-15,25H,1-2H3,(H,23,28);4-12,22H,1-3H3,(H,20,25)/t15-;10-;14-;12-/m0101/s1
• InChIKey: BPEDGSNKIZOJBO-SNTVBEPKSA-N
• XLogP: 11.66
• TPSA: 521.63 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 33
• Rotatable Bonds: 27
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1838.26
LogP ≤ 5	11.66
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(2-chlorophenyl)ethyl] N-[5-[6-fluoro-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;[(1S)-2,2-difluoro-1-phenylethyl] N-[5-[6-fluoro-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;[(1S)-2,2-difluoro-1-phenylethyl] N-[5-[5-(methanesulfonamido)-6-methoxy-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;[(1R)-1-phenylethyl] N-[5-[5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate?

The IUPAC name of [(1R)-1-(2-chlorophenyl)ethyl] N-[5-[6-fluoro-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;[(1S)-2,2-difluoro-1-phenylethyl] N-[5-[6-fluoro-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;[(1S)-2,2-difluoro-1-phenylethyl] N-[5-[5-(methanesulfonamido)-6-methoxy-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;[(1R)-1-phenylethyl] N-[5-[5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate (CID 157418867) is [(1R)-1-(2-chlorophenyl)ethyl] N-[5-[6-fluoro-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;[(1S)-2,2-difluoro-1-phenylethyl] N-[5-[6-fluoro-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;[(1S)-2,2-difluoro-1-phenylethyl] N-[5-[5-(methanesulfonamido)-6-methoxy-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;[(1R)-1-phenylethyl] N-[5-[5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate.

What is the SMILES notation for [(1R)-1-(2-chlorophenyl)ethyl] N-[5-[6-fluoro-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;[(1S)-2,2-difluoro-1-phenylethyl] N-[5-[6-fluoro-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;[(1S)-2,2-difluoro-1-phenylethyl] N-[5-[5-(methanesulfonamido)-6-methoxy-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;[(1R)-1-phenylethyl] N-[5-[5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate?

The canonical SMILES for [(1R)-1-(2-chlorophenyl)ethyl] N-[5-[6-fluoro-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;[(1S)-2,2-difluoro-1-phenylethyl] N-[5-[6-fluoro-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;[(1S)-2,2-difluoro-1-phenylethyl] N-[5-[5-(methanesulfonamido)-6-methoxy-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;[(1R)-1-phenylethyl] N-[5-[5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate is COc1nc(-c2nnn(C)c2NC(=O)O[C@@H](c2ccccc2)C(F)F)ccc1NS(C)(=O)=O.C[C@@H](OC(=O)Nc1c(-c2ccc(NS(C)(=O)=O)c(F)n2)nnn1C)c1ccccc1Cl.C[C@@H](OC(=O)Nc1c(-c2ccc(NS(C)(=O)=O)cn2)nnn1C)c1ccccc1.Cn1nnc(-c2ccc(NS(C)(=O)=O)c(F)n2)c1NC(=O)O[C@@H](c1ccccc1)C(F)F.

What is the InChIKey of [(1R)-1-(2-chlorophenyl)ethyl] N-[5-[6-fluoro-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;[(1S)-2,2-difluoro-1-phenylethyl] N-[5-[6-fluoro-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;[(1S)-2,2-difluoro-1-phenylethyl] N-[5-[5-(methanesulfonamido)-6-methoxy-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;[(1R)-1-phenylethyl] N-[5-[5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate?

The InChIKey is BPEDGSNKIZOJBO-SNTVBEPKSA-N. The full InChI is InChI=1S/C19H20F2N6O5S.C18H18ClFN6O4S.C18H17F3N6O4S.C18H20N6O4S/c1-27-17(23-19(28)32-15(16(20)21)11-7-5-4-6-8-11)14(24-26-27)12-9-10-13(18(22-12)31-2)25-33(3,29)30;1-10(11-6-4-5-7-12(11)19)30-18(27)22-17-15(23-25-26(17)2)13-8-9-14(16(20)21-13)24-31(3,28)29;1-27-17(23-18(28)31-14(15(19)20)10-6-4-3-5-7-10)13(24-26-27)11-8-9-12(16(21)22-11)25-32(2,29)30;1-12(13-7-5-4-6-8-13)28-18(25)20-17-16(21-23-24(17)2)15-10-9-14(11-19-15)22-29(3,26)27/h4-10,15-16,25H,1-3H3,(H,23,28);4-10,24H,1-3H3,(H,22,27);3-9,14-15,25H,1-2H3,(H,23,28);4-12,22H,1-3H3,(H,20,25)/t15-;10-;14-;12-/m0101/s1.

What are the key properties of [(1R)-1-(2-chlorophenyl)ethyl] N-[5-[6-fluoro-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;[(1S)-2,2-difluoro-1-phenylethyl] N-[5-[6-fluoro-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;[(1S)-2,2-difluoro-1-phenylethyl] N-[5-[5-(methanesulfonamido)-6-methoxy-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;[(1R)-1-phenylethyl] N-[5-[5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate?

[(1R)-1-(2-chlorophenyl)ethyl] N-[5-[6-fluoro-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;[(1S)-2,2-difluoro-1-phenylethyl] N-[5-[6-fluoro-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;[(1S)-2,2-difluoro-1-phenylethyl] N-[5-[5-(methanesulfonamido)-6-methoxy-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;[(1R)-1-phenylethyl] N-[5-[5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate has a molecular weight of 1838.26 g/mol, XLogP of 11.66, 27 rotatable bonds, 8 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R)-1-(2-chlorophenyl)ethyl] N-[5-[6-fluoro-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;[(1S)-2,2-difluoro-1-phenylethyl] N-[5-[6-fluoro-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;[(1S)-2,2-difluoro-1-phenylethyl] N-[5-[5-(methanesulfonamido)-6-methoxy-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;[(1R)-1-phenylethyl] N-[5-[5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate is sourced from PubChem (CID 157418867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 157418867 — identifiers, structure, computed properties (public domain)

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