N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-5-ethoxypyrazine-2-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-5-isocyanopyridine-2-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]pyrazine-2-carboxamide

C102H122ClF5N28O17S5 — CID 158928309

About N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-5-ethoxypyrazine-2-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-5-isocyanopyridine-2-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]pyrazine-2-carboxamide

N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-5-ethoxypyrazine-2-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-5-isocyanopyridine-2-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]pyrazine-2-carboxamide (PubChem CID 158928309) has the molecular formula C102H122ClF5N28O17S5 and a molecular weight of 2303.05 g/mol. Its IUPAC name is N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-5-ethoxypyrazine-2-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-5-isocyanopyridine-2-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-5-ethoxypyrazine-2-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-5-isocyanopyridine-2-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]pyrazine-2-carboxamide
• PubChem CID: 158928309
• Molecular Formula: C102H122ClF5N28O17S5
• Molecular Weight: 2303.05 g/mol
• Exact Mass: 2300.78
• IUPAC Name: N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-5-ethoxypyrazine-2-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-5-isocyanopyridine-2-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]pyrazine-2-carboxamide
• SMILES: CCOc1cnc(C(=O)Nc2ccc(F)c([C@]3(C)CN(C)S(=O)(=O)C(C)(C)C(N)=N3)c2)cn1.CN1C[C@@](C)(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)N=C(N)C(C)(C)S1(=O)=O.CN1C[C@@](C)(c2cc(NC(=O)c3cnccn3)ccc2F)N=C(N)C(C)(C)S1(=O)=O.COc1ccc(C(=O)Nc2ccc(F)c([C@]3(C)CN(C)S(=O)(=O)C(C)(C)C(N)=N3)c2)nc1.[C-]#[N+]c1ccc(C(=O)Nc2ccc(F)c([C@]3(C)CN(C)S(=O)(=O)C(C)(C)C(N)=N3)c2)nc1
• InChI: InChI=1S/C21H27FN6O4S.C21H23FN6O3S.C21H26FN5O4S.C20H23ClFN5O3S.C19H23FN6O3S/c1-6-32-17-11-24-16(10-25-17)18(29)26-13-7-8-15(22)14(9-13)21(4)12-28(5)33(30,31)20(2,3)19(23)27-21;1-20(2)19(23)27-21(3,12-28(5)32(20,30)31)15-10-13(6-8-16(15)22)26-18(29)17-9-7-14(24-4)11-25-17;1-20(2)19(23)26-21(3,12-27(4)32(20,29)30)15-10-13(6-8-16(15)22)25-18(28)17-9-7-14(31-5)11-24-17;1-19(2)18(23)26-20(3,11-27(4)31(19,29)30)14-9-13(6-7-15(14)22)25-17(28)16-8-5-12(21)10-24-16;1-18(2)17(21)25-19(3,11-26(4)30(18,28)29)13-9-12(5-6-14(13)20)24-16(27)15-10-22-7-8-23-15/h7-11H,6,12H2,1-5H3,(H2,23,27)(H,26,29);6-11H,12H2,1-3,5H3,(H2,23,27)(H,26,29);6-11H,12H2,1-5H3,(H2,23,26)(H,25,28);5-10H,11H2,1-4H3,(H2,23,26)(H,25,28);5-10H,11H2,1-4H3,(H2,21,25)(H,24,27)/t3*21-;20-;19-/m00000/s1
• InChIKey: JISKPEDGYIVRTD-WZTJXSBUSA-N
• XLogP: 10.90
• TPSA: 637.35 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 34
• Rotatable Bonds: 18
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2303.05
LogP ≤ 5	10.90
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-5-ethoxypyrazine-2-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-5-isocyanopyridine-2-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]pyrazine-2-carboxamide?

The IUPAC name of N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-5-ethoxypyrazine-2-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-5-isocyanopyridine-2-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]pyrazine-2-carboxamide (CID 158928309) is N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-5-ethoxypyrazine-2-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-5-isocyanopyridine-2-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]pyrazine-2-carboxamide.

What is the SMILES notation for N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-5-ethoxypyrazine-2-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-5-isocyanopyridine-2-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]pyrazine-2-carboxamide?

The canonical SMILES for N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-5-ethoxypyrazine-2-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-5-isocyanopyridine-2-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]pyrazine-2-carboxamide is CCOc1cnc(C(=O)Nc2ccc(F)c([C@]3(C)CN(C)S(=O)(=O)C(C)(C)C(N)=N3)c2)cn1.CN1C[C@@](C)(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)N=C(N)C(C)(C)S1(=O)=O.CN1C[C@@](C)(c2cc(NC(=O)c3cnccn3)ccc2F)N=C(N)C(C)(C)S1(=O)=O.COc1ccc(C(=O)Nc2ccc(F)c([C@]3(C)CN(C)S(=O)(=O)C(C)(C)C(N)=N3)c2)nc1.[C-]#[N+]c1ccc(C(=O)Nc2ccc(F)c([C@]3(C)CN(C)S(=O)(=O)C(C)(C)C(N)=N3)c2)nc1.

What is the InChIKey of N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-5-ethoxypyrazine-2-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-5-isocyanopyridine-2-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]pyrazine-2-carboxamide?

The InChIKey is JISKPEDGYIVRTD-WZTJXSBUSA-N. The full InChI is InChI=1S/C21H27FN6O4S.C21H23FN6O3S.C21H26FN5O4S.C20H23ClFN5O3S.C19H23FN6O3S/c1-6-32-17-11-24-16(10-25-17)18(29)26-13-7-8-15(22)14(9-13)21(4)12-28(5)33(30,31)20(2,3)19(23)27-21;1-20(2)19(23)27-21(3,12-28(5)32(20,30)31)15-10-13(6-8-16(15)22)26-18(29)17-9-7-14(24-4)11-25-17;1-20(2)19(23)26-21(3,12-27(4)32(20,29)30)15-10-13(6-8-16(15)22)25-18(28)17-9-7-14(31-5)11-24-17;1-19(2)18(23)26-20(3,11-27(4)31(19,29)30)14-9-13(6-7-15(14)22)25-17(28)16-8-5-12(21)10-24-16;1-18(2)17(21)25-19(3,11-26(4)30(18,28)29)13-9-12(5-6-14(13)20)24-16(27)15-10-22-7-8-23-15/h7-11H,6,12H2,1-5H3,(H2,23,27)(H,26,29);6-11H,12H2,1-3,5H3,(H2,23,27)(H,26,29);6-11H,12H2,1-5H3,(H2,23,26)(H,25,28);5-10H,11H2,1-4H3,(H2,23,26)(H,25,28);5-10H,11H2,1-4H3,(H2,21,25)(H,24,27)/t3*21-;20-;19-/m00000/s1.

What are the key properties of N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-5-ethoxypyrazine-2-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-5-isocyanopyridine-2-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]pyrazine-2-carboxamide?

N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-5-ethoxypyrazine-2-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-5-isocyanopyridine-2-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]pyrazine-2-carboxamide has a molecular weight of 2303.05 g/mol, XLogP of 10.90, 18 rotatable bonds, 10 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-5-ethoxypyrazine-2-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-5-isocyanopyridine-2-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 158928309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).