N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-5-chloro-3-fluoropyridine-2-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-7-isocyanoimidazo[1,2-a]pyridine-2-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-3-methyl-1,2-oxazole-5-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-1-methylpyrazole-3-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-1,2,5-thiadiazole-3-carboxamide

C98H116ClF6N29O16S6 — CID 162128078

About N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-5-chloro-3-fluoropyridine-2-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-7-isocyanoimidazo[1,2-a]pyridine-2-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-3-methyl-1,2-oxazole-5-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-1-methylpyrazole-3-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-1,2,5-thiadiazole-3-carboxamide

N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-5-chloro-3-fluoropyridine-2-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-7-isocyanoimidazo[1,2-a]pyridine-2-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-3-methyl-1,2-oxazole-5-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-1-methylpyrazole-3-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-1,2,5-thiadiazole-3-carboxamide (PubChem CID 162128078) has the molecular formula C98H116ClF6N29O16S6 and a molecular weight of 2298.04 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-chloro-3-fluoropyridine-2-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-7-isocyanoimidazo[1,2-a]pyridine-2-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-3-methyl-1,2-oxazole-5-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-1-methylpyrazole-3-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-1,2,5-thiadiazole-3-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-chloro-3-fluoropyridine-2-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-7-isocyanoimidazo[1,2-a]pyridine-2-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-3-methyl-1,2-oxazole-5-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-1-methylpyrazole-3-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-1,2,5-thiadiazole-3-carboxamide
• PubChem CID: 162128078
• Molecular Formula: C98H116ClF6N29O16S6
• Molecular Weight: 2298.04 g/mol
• Exact Mass: 2295.71
• 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-chloro-3-fluoropyridine-2-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-7-isocyanoimidazo[1,2-a]pyridine-2-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-3-methyl-1,2-oxazole-5-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-1-methylpyrazole-3-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-1,2,5-thiadiazole-3-carboxamide
• SMILES: CN1C[C@@](C)(c2cc(NC(=O)c3ccn(C)n3)ccc2F)N=C(N)C(C)(C)S1(=O)=O.CN1C[C@@](C)(c2cc(NC(=O)c3cnsn3)ccc2F)N=C(N)C(C)(C)S1(=O)=O.CN1C[C@@](C)(c2cc(NC(=O)c3ncc(Cl)cc3F)ccc2F)N=C(N)C(C)(C)S1(=O)=O.Cc1cc(C(=O)Nc2ccc(F)c([C@]3(C)CN(C)S(=O)(=O)C(C)(C)C(N)=N3)c2)on1.[C-]#[N+]c1ccn2cc(C(=O)Nc3ccc(F)c([C@]4(C)CN(C)S(=O)(=O)C(C)(C)C(N)=N4)c3)nc2c1
• InChI: InChI=1S/C23H24FN7O3S.C20H22ClF2N5O3S.C19H25FN6O3S.C19H24FN5O4S.C17H21FN6O3S2/c1-22(2)21(25)29-23(3,13-30(5)35(22,33)34)16-10-15(6-7-17(16)24)27-20(32)18-12-31-9-8-14(26-4)11-19(31)28-18;1-19(2)18(24)27-20(3,10-28(4)32(19,30)31)13-8-12(5-6-14(13)22)26-17(29)16-15(23)7-11(21)9-25-16;1-18(2)17(21)23-19(3,11-26(5)30(18,28)29)13-10-12(6-7-14(13)20)22-16(27)15-8-9-25(4)24-15;1-11-8-15(29-24-11)16(26)22-12-6-7-14(20)13(9-12)19(4)10-25(5)30(27,28)18(2,3)17(21)23-19;1-16(2)15(19)22-17(3,9-24(4)29(16,26)27)11-7-10(5-6-12(11)18)21-14(25)13-8-20-28-23-13/h6-12H,13H2,1-3,5H3,(H2,25,29)(H,27,32);5-9H,10H2,1-4H3,(H2,24,27)(H,26,29);6-10H,11H2,1-5H3,(H2,21,23)(H,22,27);6-9H,10H2,1-5H3,(H2,21,23)(H,22,26);5-8H,9H2,1-4H3,(H2,19,22)(H,21,25)/t23-;20-;2*19-;17-/m00000/s1
• InChIKey: ZIHNSHXXVCJCQX-IUXNOWNTSA-N
• XLogP: 10.79
• TPSA: 628.48 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 35
• Rotatable Bonds: 15
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2298.04
LogP ≤ 5	10.79
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	35

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-chloro-3-fluoropyridine-2-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-7-isocyanoimidazo[1,2-a]pyridine-2-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-3-methyl-1,2-oxazole-5-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-1-methylpyrazole-3-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-1,2,5-thiadiazole-3-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-chloro-3-fluoropyridine-2-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-7-isocyanoimidazo[1,2-a]pyridine-2-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-3-methyl-1,2-oxazole-5-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-1-methylpyrazole-3-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-1,2,5-thiadiazole-3-carboxamide (CID 162128078) is N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-5-chloro-3-fluoropyridine-2-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-7-isocyanoimidazo[1,2-a]pyridine-2-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-3-methyl-1,2-oxazole-5-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-1-methylpyrazole-3-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-1,2,5-thiadiazole-3-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-chloro-3-fluoropyridine-2-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-7-isocyanoimidazo[1,2-a]pyridine-2-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-3-methyl-1,2-oxazole-5-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-1-methylpyrazole-3-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-1,2,5-thiadiazole-3-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-chloro-3-fluoropyridine-2-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-7-isocyanoimidazo[1,2-a]pyridine-2-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-3-methyl-1,2-oxazole-5-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-1-methylpyrazole-3-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-1,2,5-thiadiazole-3-carboxamide is CN1C[C@@](C)(c2cc(NC(=O)c3ccn(C)n3)ccc2F)N=C(N)C(C)(C)S1(=O)=O.CN1C[C@@](C)(c2cc(NC(=O)c3cnsn3)ccc2F)N=C(N)C(C)(C)S1(=O)=O.CN1C[C@@](C)(c2cc(NC(=O)c3ncc(Cl)cc3F)ccc2F)N=C(N)C(C)(C)S1(=O)=O.Cc1cc(C(=O)Nc2ccc(F)c([C@]3(C)CN(C)S(=O)(=O)C(C)(C)C(N)=N3)c2)on1.[C-]#[N+]c1ccn2cc(C(=O)Nc3ccc(F)c([C@]4(C)CN(C)S(=O)(=O)C(C)(C)C(N)=N4)c3)nc2c1.

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-chloro-3-fluoropyridine-2-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-7-isocyanoimidazo[1,2-a]pyridine-2-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-3-methyl-1,2-oxazole-5-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-1-methylpyrazole-3-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-1,2,5-thiadiazole-3-carboxamide?

The InChIKey is ZIHNSHXXVCJCQX-IUXNOWNTSA-N. The full InChI is InChI=1S/C23H24FN7O3S.C20H22ClF2N5O3S.C19H25FN6O3S.C19H24FN5O4S.C17H21FN6O3S2/c1-22(2)21(25)29-23(3,13-30(5)35(22,33)34)16-10-15(6-7-17(16)24)27-20(32)18-12-31-9-8-14(26-4)11-19(31)28-18;1-19(2)18(24)27-20(3,10-28(4)32(19,30)31)13-8-12(5-6-14(13)22)26-17(29)16-15(23)7-11(21)9-25-16;1-18(2)17(21)23-19(3,11-26(5)30(18,28)29)13-10-12(6-7-14(13)20)22-16(27)15-8-9-25(4)24-15;1-11-8-15(29-24-11)16(26)22-12-6-7-14(20)13(9-12)19(4)10-25(5)30(27,28)18(2,3)17(21)23-19;1-16(2)15(19)22-17(3,9-24(4)29(16,26)27)11-7-10(5-6-12(11)18)21-14(25)13-8-20-28-23-13/h6-12H,13H2,1-3,5H3,(H2,25,29)(H,27,32);5-9H,10H2,1-4H3,(H2,24,27)(H,26,29);6-10H,11H2,1-5H3,(H2,21,23)(H,22,27);6-9H,10H2,1-5H3,(H2,21,23)(H,22,26);5-8H,9H2,1-4H3,(H2,19,22)(H,21,25)/t23-;20-;2*19-;17-/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-chloro-3-fluoropyridine-2-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-7-isocyanoimidazo[1,2-a]pyridine-2-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-3-methyl-1,2-oxazole-5-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-1-methylpyrazole-3-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-1,2,5-thiadiazole-3-carboxamide?

N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-5-chloro-3-fluoropyridine-2-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-7-isocyanoimidazo[1,2-a]pyridine-2-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-3-methyl-1,2-oxazole-5-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-1-methylpyrazole-3-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-1,2,5-thiadiazole-3-carboxamide has a molecular weight of 2298.04 g/mol, XLogP of 10.79, 15 rotatable bonds, 10 hydrogen bond donors, and 35 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-chloro-3-fluoropyridine-2-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-7-isocyanoimidazo[1,2-a]pyridine-2-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-3-methyl-1,2-oxazole-5-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-1-methylpyrazole-3-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-1,2,5-thiadiazole-3-carboxamide is sourced from PubChem (CID 162128078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).