2-[5-[(6R)-8-amino-6-methyl-4,4-dioxo-4λ6-thia-7-azaspiro[2.5]oct-7-en-6-yl]-6-fluoro-3-pyridinyl]-1-(5-chloro-3-methyl-2-pyridinyl)ethanone;(6R)-6-(5-bromo-2-fluoro-3-pyridinyl)-6-methyl-4,4-dioxo-4λ6-thia-7-azaspiro[2.5]oct-7-en-8-amine;5-chloro-3-methylpyridine-2-carboxamide;trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine

C47H58BrCl2F2N11O6S2 — CID 158469162

About 2-[5-[(6R)-8-amino-6-methyl-4,4-dioxo-4λ6-thia-7-azaspiro[2.5]oct-7-en-6-yl]-6-fluoro-3-pyridinyl]-1-(5-chloro-3-methyl-2-pyridinyl)ethanone;(6R)-6-(5-bromo-2-fluoro-3-pyridinyl)-6-methyl-4,4-dioxo-4λ6-thia-7-azaspiro[2.5]oct-7-en-8-amine;5-chloro-3-methylpyridine-2-carboxamide;trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine

2-[5-[(6R)-8-amino-6-methyl-4,4-dioxo-4λ6-thia-7-azaspiro[2.5]oct-7-en-6-yl]-6-fluoro-3-pyridinyl]-1-(5-chloro-3-methyl-2-pyridinyl)ethanone;(6R)-6-(5-bromo-2-fluoro-3-pyridinyl)-6-methyl-4,4-dioxo-4λ6-thia-7-azaspiro[2.5]oct-7-en-8-amine;5-chloro-3-methylpyridine-2-carboxamide;trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine (PubChem CID 158469162) has the molecular formula C47H58BrCl2F2N11O6S2 and a molecular weight of 1125.99 g/mol. Its IUPAC name is 2-[5-[(6R)-8-amino-6-methyl-4,4-dioxo-4λ6-thia-7-azaspiro[2.5]oct-7-en-6-yl]-6-fluoro-3-pyridinyl]-1-(5-chloro-3-methyl-2-pyridinyl)ethanone;(6R)-6-(5-bromo-2-fluoro-3-pyridinyl)-6-methyl-4,4-dioxo-4λ6-thia-7-azaspiro[2.5]oct-7-en-8-amine;5-chloro-3-methylpyridine-2-carboxamide;trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine.

Molecular Properties

• Compound Name: 2-[5-[(6R)-8-amino-6-methyl-4,4-dioxo-4λ6-thia-7-azaspiro[2.5]oct-7-en-6-yl]-6-fluoro-3-pyridinyl]-1-(5-chloro-3-methyl-2-pyridinyl)ethanone;(6R)-6-(5-bromo-2-fluoro-3-pyridinyl)-6-methyl-4,4-dioxo-4λ6-thia-7-azaspiro[2.5]oct-7-en-8-amine;5-chloro-3-methylpyridine-2-carboxamide;trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine
• PubChem CID: 158469162
• Molecular Formula: C47H58BrCl2F2N11O6S2
• Molecular Weight: 1125.99 g/mol
• Exact Mass: 1123.25
• IUPAC Name: 2-[5-[(6R)-8-amino-6-methyl-4,4-dioxo-4λ6-thia-7-azaspiro[2.5]oct-7-en-6-yl]-6-fluoro-3-pyridinyl]-1-(5-chloro-3-methyl-2-pyridinyl)ethanone;(6R)-6-(5-bromo-2-fluoro-3-pyridinyl)-6-methyl-4,4-dioxo-4λ6-thia-7-azaspiro[2.5]oct-7-en-8-amine;5-chloro-3-methylpyridine-2-carboxamide;trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine
• SMILES: CN[C@@H]1CCCC[C@H]1NC.C[C@@]1(c2cc(Br)cnc2F)CS(=O)(=O)C2(CC2)C(N)=N1.Cc1cc(Cl)cnc1C(=O)Cc1cnc(F)c([C@]2(C)CS(=O)(=O)C3(CC3)C(N)=N2)c1.Cc1cc(Cl)cnc1C(N)=O
• InChI: InChI=1S/C20H20ClFN4O3S.C12H13BrFN3O2S.C8H18N2.C7H7ClN2O/c1-11-5-13(21)9-24-16(11)15(27)7-12-6-14(17(22)25-8-12)19(2)10-30(28,29)20(3-4-20)18(23)26-19;1-11(8-4-7(13)5-16-9(8)14)6-20(18,19)12(2-3-12)10(15)17-11;1-9-7-5-3-4-6-8(7)10-2;1-4-2-5(8)3-10-6(4)7(9)11/h5-6,8-9H,3-4,7,10H2,1-2H3,(H2,23,26);4-5H,2-3,6H2,1H3,(H2,15,17);7-10H,3-6H2,1-2H3;2-3H,1H3,(H2,9,11)/t19-;11-;7-,8-;/m001./s1
• InChIKey: HGDCPOOTLKXLSU-WTASFZPKSA-N
• XLogP: 5.93
• TPSA: 280.82 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 16
• Rotatable Bonds: 8
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1125.99
LogP ≤ 5	5.93
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(6R)-8-amino-6-methyl-4,4-dioxo-4λ6-thia-7-azaspiro[2.5]oct-7-en-6-yl]-6-fluoro-3-pyridinyl]-1-(5-chloro-3-methyl-2-pyridinyl)ethanone;(6R)-6-(5-bromo-2-fluoro-3-pyridinyl)-6-methyl-4,4-dioxo-4λ6-thia-7-azaspiro[2.5]oct-7-en-8-amine;5-chloro-3-methylpyridine-2-carboxamide;trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine?

The IUPAC name of 2-[5-[(6R)-8-amino-6-methyl-4,4-dioxo-4λ6-thia-7-azaspiro[2.5]oct-7-en-6-yl]-6-fluoro-3-pyridinyl]-1-(5-chloro-3-methyl-2-pyridinyl)ethanone;(6R)-6-(5-bromo-2-fluoro-3-pyridinyl)-6-methyl-4,4-dioxo-4λ6-thia-7-azaspiro[2.5]oct-7-en-8-amine;5-chloro-3-methylpyridine-2-carboxamide;trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine (CID 158469162) is 2-[5-[(6R)-8-amino-6-methyl-4,4-dioxo-4λ6-thia-7-azaspiro[2.5]oct-7-en-6-yl]-6-fluoro-3-pyridinyl]-1-(5-chloro-3-methyl-2-pyridinyl)ethanone;(6R)-6-(5-bromo-2-fluoro-3-pyridinyl)-6-methyl-4,4-dioxo-4λ6-thia-7-azaspiro[2.5]oct-7-en-8-amine;5-chloro-3-methylpyridine-2-carboxamide;trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine.

What is the SMILES notation for 2-[5-[(6R)-8-amino-6-methyl-4,4-dioxo-4λ6-thia-7-azaspiro[2.5]oct-7-en-6-yl]-6-fluoro-3-pyridinyl]-1-(5-chloro-3-methyl-2-pyridinyl)ethanone;(6R)-6-(5-bromo-2-fluoro-3-pyridinyl)-6-methyl-4,4-dioxo-4λ6-thia-7-azaspiro[2.5]oct-7-en-8-amine;5-chloro-3-methylpyridine-2-carboxamide;trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine?

The canonical SMILES for 2-[5-[(6R)-8-amino-6-methyl-4,4-dioxo-4λ6-thia-7-azaspiro[2.5]oct-7-en-6-yl]-6-fluoro-3-pyridinyl]-1-(5-chloro-3-methyl-2-pyridinyl)ethanone;(6R)-6-(5-bromo-2-fluoro-3-pyridinyl)-6-methyl-4,4-dioxo-4λ6-thia-7-azaspiro[2.5]oct-7-en-8-amine;5-chloro-3-methylpyridine-2-carboxamide;trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine is CN[C@@H]1CCCC[C@H]1NC.C[C@@]1(c2cc(Br)cnc2F)CS(=O)(=O)C2(CC2)C(N)=N1.Cc1cc(Cl)cnc1C(=O)Cc1cnc(F)c([C@]2(C)CS(=O)(=O)C3(CC3)C(N)=N2)c1.Cc1cc(Cl)cnc1C(N)=O.

What is the InChIKey of 2-[5-[(6R)-8-amino-6-methyl-4,4-dioxo-4λ6-thia-7-azaspiro[2.5]oct-7-en-6-yl]-6-fluoro-3-pyridinyl]-1-(5-chloro-3-methyl-2-pyridinyl)ethanone;(6R)-6-(5-bromo-2-fluoro-3-pyridinyl)-6-methyl-4,4-dioxo-4λ6-thia-7-azaspiro[2.5]oct-7-en-8-amine;5-chloro-3-methylpyridine-2-carboxamide;trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine?

The InChIKey is HGDCPOOTLKXLSU-WTASFZPKSA-N. The full InChI is InChI=1S/C20H20ClFN4O3S.C12H13BrFN3O2S.C8H18N2.C7H7ClN2O/c1-11-5-13(21)9-24-16(11)15(27)7-12-6-14(17(22)25-8-12)19(2)10-30(28,29)20(3-4-20)18(23)26-19;1-11(8-4-7(13)5-16-9(8)14)6-20(18,19)12(2-3-12)10(15)17-11;1-9-7-5-3-4-6-8(7)10-2;1-4-2-5(8)3-10-6(4)7(9)11/h5-6,8-9H,3-4,7,10H2,1-2H3,(H2,23,26);4-5H,2-3,6H2,1H3,(H2,15,17);7-10H,3-6H2,1-2H3;2-3H,1H3,(H2,9,11)/t19-;11-;7-,8-;/m001./s1.

What are the key properties of 2-[5-[(6R)-8-amino-6-methyl-4,4-dioxo-4λ6-thia-7-azaspiro[2.5]oct-7-en-6-yl]-6-fluoro-3-pyridinyl]-1-(5-chloro-3-methyl-2-pyridinyl)ethanone;(6R)-6-(5-bromo-2-fluoro-3-pyridinyl)-6-methyl-4,4-dioxo-4λ6-thia-7-azaspiro[2.5]oct-7-en-8-amine;5-chloro-3-methylpyridine-2-carboxamide;trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine?

2-[5-[(6R)-8-amino-6-methyl-4,4-dioxo-4λ6-thia-7-azaspiro[2.5]oct-7-en-6-yl]-6-fluoro-3-pyridinyl]-1-(5-chloro-3-methyl-2-pyridinyl)ethanone;(6R)-6-(5-bromo-2-fluoro-3-pyridinyl)-6-methyl-4,4-dioxo-4λ6-thia-7-azaspiro[2.5]oct-7-en-8-amine;5-chloro-3-methylpyridine-2-carboxamide;trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine has a molecular weight of 1125.99 g/mol, XLogP of 5.93, 8 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[(6R)-8-amino-6-methyl-4,4-dioxo-4λ6-thia-7-azaspiro[2.5]oct-7-en-6-yl]-6-fluoro-3-pyridinyl]-1-(5-chloro-3-methyl-2-pyridinyl)ethanone;(6R)-6-(5-bromo-2-fluoro-3-pyridinyl)-6-methyl-4,4-dioxo-4λ6-thia-7-azaspiro[2.5]oct-7-en-8-amine;5-chloro-3-methylpyridine-2-carboxamide;trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine is sourced from PubChem (CID 158469162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).