N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-(trideuteriomethoxy)pyrazine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-5-(trideuteriomethoxy)pyrazine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-5-(trideuteriomethoxy)pyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4,5-trifluorophenyl]-5-(trideuteriomethoxy)pyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4,5-trifluorophenyl]-5-(trideuteriomethoxy)pyridine-2-carboxamide

C85H90F10N30O20S5 — CID 157422745

About N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-(trideuteriomethoxy)pyrazine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-5-(trideuteriomethoxy)pyrazine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-5-(trideuteriomethoxy)pyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4,5-trifluorophenyl]-5-(trideuteriomethoxy)pyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4,5-trifluorophenyl]-5-(trideuteriomethoxy)pyridine-2-carboxamide

N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-(trideuteriomethoxy)pyrazine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-5-(trideuteriomethoxy)pyrazine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-5-(trideuteriomethoxy)pyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4,5-trifluorophenyl]-5-(trideuteriomethoxy)pyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4,5-trifluorophenyl]-5-(trideuteriomethoxy)pyridine-2-carboxamide (PubChem CID 157422745) has the molecular formula C85H90F10N30O20S5 and a molecular weight of 2217.25 g/mol. Its IUPAC name is N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-(trideuteriomethoxy)pyrazine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-5-(trideuteriomethoxy)pyrazine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-5-(trideuteriomethoxy)pyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4,5-trifluorophenyl]-5-(trideuteriomethoxy)pyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4,5-trifluorophenyl]-5-(trideuteriomethoxy)pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-(trideuteriomethoxy)pyrazine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-5-(trideuteriomethoxy)pyrazine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-5-(trideuteriomethoxy)pyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4,5-trifluorophenyl]-5-(trideuteriomethoxy)pyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4,5-trifluorophenyl]-5-(trideuteriomethoxy)pyridine-2-carboxamide
• PubChem CID: 157422745
• Molecular Formula: C85H90F10N30O20S5
• Molecular Weight: 2217.25 g/mol
• Exact Mass: 2215.63
• IUPAC Name: N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-(trideuteriomethoxy)pyrazine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-5-(trideuteriomethoxy)pyrazine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-5-(trideuteriomethoxy)pyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4,5-trifluorophenyl]-5-(trideuteriomethoxy)pyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4,5-trifluorophenyl]-5-(trideuteriomethoxy)pyridine-2-carboxamide
• SMILES: [2H]C([2H])([2H])Oc1ccc(C(=O)Nc2cc(F)c(F)c([C@]3(C)CS(=O)(=O)N(C)C(N)=N3)c2F)nc1.[2H]C([2H])([2H])Oc1ccc(C(=O)Nc2ccc(F)c([C@]3(C)CS(=O)(=O)N(C)C(N)=N3)n2)nc1.[2H]C([2H])([2H])Oc1cnc(C(=O)Nc2cc(F)c(F)c([C@]3(C)CS(=O)(=O)N(C)C(N)=N3)c2F)cn1.[2H]C([2H])([2H])Oc1cnc(C(=O)Nc2ccc(F)c([C@]3(C)CS(=O)(=O)N(C)C(N)=N3)c2F)cn1.[2H]C([2H])([2H])Oc1cnc(C(=O)Nc2ccc(F)c([C@]3(C)CS(=O)(=O)N(C)C(N)=N3)n2)cn1
• InChI: InChI=1S/C18H18F3N5O4S.C17H17F3N6O4S.C17H18F2N6O4S.C17H19FN6O4S.C16H18FN7O4S/c1-18(8-31(28,29)26(2)17(22)25-18)13-14(20)10(19)6-12(15(13)21)24-16(27)11-5-4-9(30-3)7-23-11;1-17(7-31(28,29)26(2)16(21)25-17)12-13(19)8(18)4-9(14(12)20)24-15(27)10-5-23-11(30-3)6-22-10;1-17(8-30(27,28)25(2)16(20)24-17)13-9(18)4-5-10(14(13)19)23-15(26)11-6-22-12(29-3)7-21-11;1-17(9-29(26,27)24(2)16(19)23-17)14-11(18)5-7-13(21-14)22-15(25)12-6-4-10(28-3)8-20-12;1-16(8-29(26,27)24(2)15(18)23-16)13-9(17)4-5-11(21-13)22-14(25)10-6-20-12(28-3)7-19-10/h4-7H,8H2,1-3H3,(H2,22,25)(H,24,27);4-6H,7H2,1-3H3,(H2,21,25)(H,24,27);4-7H,8H2,1-3H3,(H2,20,24)(H,23,26);4-8H,9H2,1-3H3,(H2,19,23)(H,21,22,25);4-7H,8H2,1-3H3,(H2,18,23)(H,21,22,25)/t18-;3*17-;16-/m00000/s1/i5*3D3
• InChIKey: BPPGHKMZBMNPDC-RYBRGBPNSA-N
• XLogP: 4.10
• TPSA: 699.35 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 40
• Rotatable Bonds: 25
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2217.25
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-(trideuteriomethoxy)pyrazine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-5-(trideuteriomethoxy)pyrazine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-5-(trideuteriomethoxy)pyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4,5-trifluorophenyl]-5-(trideuteriomethoxy)pyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4,5-trifluorophenyl]-5-(trideuteriomethoxy)pyridine-2-carboxamide?

The IUPAC name of N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-(trideuteriomethoxy)pyrazine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-5-(trideuteriomethoxy)pyrazine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-5-(trideuteriomethoxy)pyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4,5-trifluorophenyl]-5-(trideuteriomethoxy)pyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4,5-trifluorophenyl]-5-(trideuteriomethoxy)pyridine-2-carboxamide (CID 157422745) is N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-(trideuteriomethoxy)pyrazine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-5-(trideuteriomethoxy)pyrazine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-5-(trideuteriomethoxy)pyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4,5-trifluorophenyl]-5-(trideuteriomethoxy)pyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4,5-trifluorophenyl]-5-(trideuteriomethoxy)pyridine-2-carboxamide.

What is the SMILES notation for N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-(trideuteriomethoxy)pyrazine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-5-(trideuteriomethoxy)pyrazine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-5-(trideuteriomethoxy)pyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4,5-trifluorophenyl]-5-(trideuteriomethoxy)pyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4,5-trifluorophenyl]-5-(trideuteriomethoxy)pyridine-2-carboxamide?

The canonical SMILES for N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-(trideuteriomethoxy)pyrazine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-5-(trideuteriomethoxy)pyrazine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-5-(trideuteriomethoxy)pyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4,5-trifluorophenyl]-5-(trideuteriomethoxy)pyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4,5-trifluorophenyl]-5-(trideuteriomethoxy)pyridine-2-carboxamide is [2H]C([2H])([2H])Oc1ccc(C(=O)Nc2cc(F)c(F)c([C@]3(C)CS(=O)(=O)N(C)C(N)=N3)c2F)nc1.[2H]C([2H])([2H])Oc1ccc(C(=O)Nc2ccc(F)c([C@]3(C)CS(=O)(=O)N(C)C(N)=N3)n2)nc1.[2H]C([2H])([2H])Oc1cnc(C(=O)Nc2cc(F)c(F)c([C@]3(C)CS(=O)(=O)N(C)C(N)=N3)c2F)cn1.[2H]C([2H])([2H])Oc1cnc(C(=O)Nc2ccc(F)c([C@]3(C)CS(=O)(=O)N(C)C(N)=N3)c2F)cn1.[2H]C([2H])([2H])Oc1cnc(C(=O)Nc2ccc(F)c([C@]3(C)CS(=O)(=O)N(C)C(N)=N3)n2)cn1.

What is the InChIKey of N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-(trideuteriomethoxy)pyrazine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-5-(trideuteriomethoxy)pyrazine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-5-(trideuteriomethoxy)pyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4,5-trifluorophenyl]-5-(trideuteriomethoxy)pyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4,5-trifluorophenyl]-5-(trideuteriomethoxy)pyridine-2-carboxamide?

The InChIKey is BPPGHKMZBMNPDC-RYBRGBPNSA-N. The full InChI is InChI=1S/C18H18F3N5O4S.C17H17F3N6O4S.C17H18F2N6O4S.C17H19FN6O4S.C16H18FN7O4S/c1-18(8-31(28,29)26(2)17(22)25-18)13-14(20)10(19)6-12(15(13)21)24-16(27)11-5-4-9(30-3)7-23-11;1-17(7-31(28,29)26(2)16(21)25-17)12-13(19)8(18)4-9(14(12)20)24-15(27)10-5-23-11(30-3)6-22-10;1-17(8-30(27,28)25(2)16(20)24-17)13-9(18)4-5-10(14(13)19)23-15(26)11-6-22-12(29-3)7-21-11;1-17(9-29(26,27)24(2)16(19)23-17)14-11(18)5-7-13(21-14)22-15(25)12-6-4-10(28-3)8-20-12;1-16(8-29(26,27)24(2)15(18)23-16)13-9(17)4-5-11(21-13)22-14(25)10-6-20-12(28-3)7-19-10/h4-7H,8H2,1-3H3,(H2,22,25)(H,24,27);4-6H,7H2,1-3H3,(H2,21,25)(H,24,27);4-7H,8H2,1-3H3,(H2,20,24)(H,23,26);4-8H,9H2,1-3H3,(H2,19,23)(H,21,22,25);4-7H,8H2,1-3H3,(H2,18,23)(H,21,22,25)/t18-;3*17-;16-/m00000/s1/i5*3D3.

What are the key properties of N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-(trideuteriomethoxy)pyrazine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-5-(trideuteriomethoxy)pyrazine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-5-(trideuteriomethoxy)pyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4,5-trifluorophenyl]-5-(trideuteriomethoxy)pyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4,5-trifluorophenyl]-5-(trideuteriomethoxy)pyridine-2-carboxamide?

N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-(trideuteriomethoxy)pyrazine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-5-(trideuteriomethoxy)pyrazine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-5-(trideuteriomethoxy)pyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4,5-trifluorophenyl]-5-(trideuteriomethoxy)pyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4,5-trifluorophenyl]-5-(trideuteriomethoxy)pyridine-2-carboxamide has a molecular weight of 2217.25 g/mol, XLogP of 4.10, 25 rotatable bonds, 10 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-(trideuteriomethoxy)pyrazine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-5-(trideuteriomethoxy)pyrazine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-5-(trideuteriomethoxy)pyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4,5-trifluorophenyl]-5-(trideuteriomethoxy)pyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4,5-trifluorophenyl]-5-(trideuteriomethoxy)pyridine-2-carboxamide is sourced from PubChem (CID 157422745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).