N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-chloro-3-fluoropyridine-4-carboxamide;N-[3-[3-(2-amino-3,5-dimethyl-4H-imidazol-5-yl)phenyl]phenyl]acetamide;1-[3-[3-(2-amino-3,5-dimethyl-4H-imidazol-5-yl)phenyl]phenyl]ethanone;5-[3-(2-fluoro-5-methoxyphenyl)phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine

C₈₁H₉₈ClF₂N₁₅O₆ — CID 159978475

About N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-chloro-3-fluoropyridine-4-carboxamide;N-[3-[3-(2-amino-3,5-dimethyl-4H-imidazol-5-yl)phenyl]phenyl]acetamide;1-[3-[3-(2-amino-3,5-dimethyl-4H-imidazol-5-yl)phenyl]phenyl]ethanone;5-[3-(2-fluoro-5-methoxyphenyl)phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine

N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-chloro-3-fluoropyridine-4-carboxamide;N-[3-[3-(2-amino-3,5-dimethyl-4H-imidazol-5-yl)phenyl]phenyl]acetamide;1-[3-[3-(2-amino-3,5-dimethyl-4H-imidazol-5-yl)phenyl]phenyl]ethanone;5-[3-(2-fluoro-5-methoxyphenyl)phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine (PubChem CID 159978475) has the molecular formula C₈₁H₉₈ClF₂N₁₅O₆ and a molecular weight of 1451.22 g/mol. Its IUPAC name is N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-chloro-3-fluoropyridine-4-carboxamide;N-[3-[3-(2-amino-3,5-dimethyl-4H-imidazol-5-yl)phenyl]phenyl]acetamide;1-[3-[3-(2-amino-3,5-dimethyl-4H-imidazol-5-yl)phenyl]phenyl]ethanone;5-[3-(2-fluoro-5-methoxyphenyl)phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine.

Molecular Properties

• Compound Name: N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-chloro-3-fluoropyridine-4-carboxamide;N-[3-[3-(2-amino-3,5-dimethyl-4H-imidazol-5-yl)phenyl]phenyl]acetamide;1-[3-[3-(2-amino-3,5-dimethyl-4H-imidazol-5-yl)phenyl]phenyl]ethanone;5-[3-(2-fluoro-5-methoxyphenyl)phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine
• PubChem CID: 159978475
• Molecular Formula: C₈₁H₉₈ClF₂N₁₅O₆
• Molecular Weight: 1451.22 g/mol
• Exact Mass: 1449.75
• IUPAC Name: N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-chloro-3-fluoropyridine-4-carboxamide;N-[3-[3-(2-amino-3,5-dimethyl-4H-imidazol-5-yl)phenyl]phenyl]acetamide;1-[3-[3-(2-amino-3,5-dimethyl-4H-imidazol-5-yl)phenyl]phenyl]ethanone;5-[3-(2-fluoro-5-methoxyphenyl)phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine
• SMILES: CC(=O)Nc1cccc(-c2cccc(C3(C)CN(C)C(N)=N3)c2)c1.CC(=O)c1cccc(-c2cccc(C3(C)CN(C)C(N)=N3)c2)c1.CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](NC(=O)c3ccnc(Cl)c3F)C2)N=C1N.COc1ccc(F)c(-c2cccc(C3(C)CON(C)C(N)=N3)c2)c1
• InChI: InChI=1S/C25H35ClFN5O2.C19H22N4O.C19H21N3O.C18H20FN3O2/c1-32-23(34)25(31-24(32)28,12-10-16-6-3-2-4-7-16)15-17-8-5-9-18(14-17)30-22(33)19-11-13-29-21(26)20(19)27;1-13(24)21-17-9-5-7-15(11-17)14-6-4-8-16(10-14)19(2)12-23(3)18(20)22-19;1-13(23)14-6-4-7-15(10-14)16-8-5-9-17(11-16)19(2)12-22(3)18(20)21-19;1-18(11-24-22(2)17(20)21-18)13-6-4-5-12(9-13)15-10-14(23-3)7-8-16(15)19/h11,13,16-18H,2-10,12,14-15H2,1H3,(H2,28,31)(H,30,33);4-11H,12H2,1-3H3,(H2,20,22)(H,21,24);4-11H,12H2,1-3H3,(H2,20,21);4-10H,11H2,1-3H3,(H2,20,21)/t17-,18+,25+;;;/m0.../s1
• InChIKey: OFLPZJCUADNOSP-ILCKOZOXSA-N
• XLogP: 13.17
• TPSA: 290.17 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 18
• Rotatable Bonds: 16
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1451.22
LogP ≤ 5	13.17
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-chloro-3-fluoropyridine-4-carboxamide;N-[3-[3-(2-amino-3,5-dimethyl-4H-imidazol-5-yl)phenyl]phenyl]acetamide;1-[3-[3-(2-amino-3,5-dimethyl-4H-imidazol-5-yl)phenyl]phenyl]ethanone;5-[3-(2-fluoro-5-methoxyphenyl)phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine?

The IUPAC name of N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-chloro-3-fluoropyridine-4-carboxamide;N-[3-[3-(2-amino-3,5-dimethyl-4H-imidazol-5-yl)phenyl]phenyl]acetamide;1-[3-[3-(2-amino-3,5-dimethyl-4H-imidazol-5-yl)phenyl]phenyl]ethanone;5-[3-(2-fluoro-5-methoxyphenyl)phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine (CID 159978475) is N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-chloro-3-fluoropyridine-4-carboxamide;N-[3-[3-(2-amino-3,5-dimethyl-4H-imidazol-5-yl)phenyl]phenyl]acetamide;1-[3-[3-(2-amino-3,5-dimethyl-4H-imidazol-5-yl)phenyl]phenyl]ethanone;5-[3-(2-fluoro-5-methoxyphenyl)phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine.

What is the SMILES notation for N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-chloro-3-fluoropyridine-4-carboxamide;N-[3-[3-(2-amino-3,5-dimethyl-4H-imidazol-5-yl)phenyl]phenyl]acetamide;1-[3-[3-(2-amino-3,5-dimethyl-4H-imidazol-5-yl)phenyl]phenyl]ethanone;5-[3-(2-fluoro-5-methoxyphenyl)phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine?

The canonical SMILES for N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-chloro-3-fluoropyridine-4-carboxamide;N-[3-[3-(2-amino-3,5-dimethyl-4H-imidazol-5-yl)phenyl]phenyl]acetamide;1-[3-[3-(2-amino-3,5-dimethyl-4H-imidazol-5-yl)phenyl]phenyl]ethanone;5-[3-(2-fluoro-5-methoxyphenyl)phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine is CC(=O)Nc1cccc(-c2cccc(C3(C)CN(C)C(N)=N3)c2)c1.CC(=O)c1cccc(-c2cccc(C3(C)CN(C)C(N)=N3)c2)c1.CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](NC(=O)c3ccnc(Cl)c3F)C2)N=C1N.COc1ccc(F)c(-c2cccc(C3(C)CON(C)C(N)=N3)c2)c1.

What is the InChIKey of N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-chloro-3-fluoropyridine-4-carboxamide;N-[3-[3-(2-amino-3,5-dimethyl-4H-imidazol-5-yl)phenyl]phenyl]acetamide;1-[3-[3-(2-amino-3,5-dimethyl-4H-imidazol-5-yl)phenyl]phenyl]ethanone;5-[3-(2-fluoro-5-methoxyphenyl)phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine?

The InChIKey is OFLPZJCUADNOSP-ILCKOZOXSA-N. The full InChI is InChI=1S/C25H35ClFN5O2.C19H22N4O.C19H21N3O.C18H20FN3O2/c1-32-23(34)25(31-24(32)28,12-10-16-6-3-2-4-7-16)15-17-8-5-9-18(14-17)30-22(33)19-11-13-29-21(26)20(19)27;1-13(24)21-17-9-5-7-15(11-17)14-6-4-8-16(10-14)19(2)12-23(3)18(20)22-19;1-13(23)14-6-4-7-15(10-14)16-8-5-9-17(11-16)19(2)12-22(3)18(20)21-19;1-18(11-24-22(2)17(20)21-18)13-6-4-5-12(9-13)15-10-14(23-3)7-8-16(15)19/h11,13,16-18H,2-10,12,14-15H2,1H3,(H2,28,31)(H,30,33);4-11H,12H2,1-3H3,(H2,20,22)(H,21,24);4-11H,12H2,1-3H3,(H2,20,21);4-10H,11H2,1-3H3,(H2,20,21)/t17-,18+,25+;;;/m0.../s1.

What are the key properties of N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-chloro-3-fluoropyridine-4-carboxamide;N-[3-[3-(2-amino-3,5-dimethyl-4H-imidazol-5-yl)phenyl]phenyl]acetamide;1-[3-[3-(2-amino-3,5-dimethyl-4H-imidazol-5-yl)phenyl]phenyl]ethanone;5-[3-(2-fluoro-5-methoxyphenyl)phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine?

N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-chloro-3-fluoropyridine-4-carboxamide;N-[3-[3-(2-amino-3,5-dimethyl-4H-imidazol-5-yl)phenyl]phenyl]acetamide;1-[3-[3-(2-amino-3,5-dimethyl-4H-imidazol-5-yl)phenyl]phenyl]ethanone;5-[3-(2-fluoro-5-methoxyphenyl)phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine has a molecular weight of 1451.22 g/mol, XLogP of 13.17, 16 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-chloro-3-fluoropyridine-4-carboxamide;N-[3-[3-(2-amino-3,5-dimethyl-4H-imidazol-5-yl)phenyl]phenyl]acetamide;1-[3-[3-(2-amino-3,5-dimethyl-4H-imidazol-5-yl)phenyl]phenyl]ethanone;5-[3-(2-fluoro-5-methoxyphenyl)phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine is sourced from PubChem (CID 159978475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159978475 — identifiers, structure, computed properties (public domain)

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