9-(3,5-difluorophenyl)sulfanyl-4-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazine;9-(3-fluoro-5-methylphenyl)-4-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazine;9-(3-fluoro-5-methylphenyl)-4-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]-6,7,8,9a-tetrahydro-1H-pyrido[1,2-d][1,2,4]oxadiazin-9-ol;9-[(3-fluoro-5-methylphenyl)methyl]-4-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazine;9-(3-fluoro-5-methylphenyl)sulfonyl-4-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazine

C125H134F6N20O8S2 — CID 158141242

About 9-(3,5-difluorophenyl)sulfanyl-4-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazine;9-(3-fluoro-5-methylphenyl)-4-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazine;9-(3-fluoro-5-methylphenyl)-4-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]-6,7,8,9a-tetrahydro-1H-pyrido[1,2-d][1,2,4]oxadiazin-9-ol;9-[(3-fluoro-5-methylphenyl)methyl]-4-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazine;9-(3-fluoro-5-methylphenyl)sulfonyl-4-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazine

9-(3,5-difluorophenyl)sulfanyl-4-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazine;9-(3-fluoro-5-methylphenyl)-4-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazine;9-(3-fluoro-5-methylphenyl)-4-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]-6,7,8,9a-tetrahydro-1H-pyrido[1,2-d][1,2,4]oxadiazin-9-ol;9-[(3-fluoro-5-methylphenyl)methyl]-4-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazine;9-(3-fluoro-5-methylphenyl)sulfonyl-4-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazine (PubChem CID 158141242) has the molecular formula C125H134F6N20O8S2 and a molecular weight of 2222.70 g/mol. Its IUPAC name is 9-(3,5-difluorophenyl)sulfanyl-4-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazine;9-(3-fluoro-5-methylphenyl)-4-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazine;9-(3-fluoro-5-methylphenyl)-4-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]-6,7,8,9a-tetrahydro-1H-pyrido[1,2-d][1,2,4]oxadiazin-9-ol;9-[(3-fluoro-5-methylphenyl)methyl]-4-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazine;9-(3-fluoro-5-methylphenyl)sulfonyl-4-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazine.

Molecular Properties

• Compound Name: 9-(3,5-difluorophenyl)sulfanyl-4-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazine;9-(3-fluoro-5-methylphenyl)-4-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazine;9-(3-fluoro-5-methylphenyl)-4-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]-6,7,8,9a-tetrahydro-1H-pyrido[1,2-d][1,2,4]oxadiazin-9-ol;9-[(3-fluoro-5-methylphenyl)methyl]-4-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazine;9-(3-fluoro-5-methylphenyl)sulfonyl-4-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazine
• PubChem CID: 158141242
• Molecular Formula: C125H134F6N20O8S2
• Molecular Weight: 2222.70 g/mol
• Exact Mass: 2221.00
• IUPAC Name: 9-(3,5-difluorophenyl)sulfanyl-4-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazine;9-(3-fluoro-5-methylphenyl)-4-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazine;9-(3-fluoro-5-methylphenyl)-4-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]-6,7,8,9a-tetrahydro-1H-pyrido[1,2-d][1,2,4]oxadiazin-9-ol;9-[(3-fluoro-5-methylphenyl)methyl]-4-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazine;9-(3-fluoro-5-methylphenyl)sulfonyl-4-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazine
• SMILES: Cc1cc(F)cc(C2(O)CCCN3C(c4ccc(-n5cnc(C)c5)c(C)c4)=NOCC32)c1.Cc1cc(F)cc(C2CCCN3C(c4ccc(-n5cnc(C)c5)c(C)c4)=NOCC23)c1.Cc1cc(F)cc(CC2CCCN3C(c4ccc(-n5cnc(C)c5)c(C)c4)=NOCC23)c1.Cc1cc(F)cc(S(=O)(=O)C2CCCN3C(c4ccc(-n5cnc(C)c5)c(C)c4)=NOCC23)c1.Cc1cn(-c2ccc(C3=NOCC4C(Sc5cc(F)cc(F)c5)CCCN34)cc2C)cn1
• InChI: InChI=1S/C26H29FN4O.C25H27FN4O3S.C25H27FN4O2.C25H27FN4O.C24H24F2N4OS/c1-17-9-20(13-23(27)10-17)12-21-5-4-8-31-25(21)15-32-29-26(31)22-6-7-24(18(2)11-22)30-14-19(3)28-16-30;1-16-9-20(26)12-21(10-16)34(31,32)24-5-4-8-30-23(24)14-33-28-25(30)19-6-7-22(17(2)11-19)29-13-18(3)27-15-29;1-16-9-20(12-21(26)10-16)25(31)7-4-8-30-23(25)14-32-28-24(30)19-5-6-22(17(2)11-19)29-13-18(3)27-15-29;1-16-9-20(12-21(26)10-16)22-5-4-8-30-24(22)14-31-28-25(30)19-6-7-23(17(2)11-19)29-13-18(3)27-15-29;1-15-8-17(5-6-21(15)29-12-16(2)27-14-29)24-28-31-13-22-23(4-3-7-30(22)24)32-20-10-18(25)9-19(26)11-20/h6-7,9-11,13-14,16,21,25H,4-5,8,12,15H2,1-3H3;6-7,9-13,15,23-24H,4-5,8,14H2,1-3H3;5-6,9-13,15,23,31H,4,7-8,14H2,1-3H3;6-7,9-13,15,22,24H,4-5,8,14H2,1-3H3;5-6,8-12,14,22-23H,3-4,7,13H2,1-2H3
• InChIKey: FTYUVYORXAPKKK-UHFFFAOYSA-N
• XLogP: 22.83
• TPSA: 267.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 29
• Rotatable Bonds: 18
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2222.70
LogP ≤ 5	22.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 9-(3,5-difluorophenyl)sulfanyl-4-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazine;9-(3-fluoro-5-methylphenyl)-4-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazine;9-(3-fluoro-5-methylphenyl)-4-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]-6,7,8,9a-tetrahydro-1H-pyrido[1,2-d][1,2,4]oxadiazin-9-ol;9-[(3-fluoro-5-methylphenyl)methyl]-4-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazine;9-(3-fluoro-5-methylphenyl)sulfonyl-4-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazine?

The IUPAC name of 9-(3,5-difluorophenyl)sulfanyl-4-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazine;9-(3-fluoro-5-methylphenyl)-4-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazine;9-(3-fluoro-5-methylphenyl)-4-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]-6,7,8,9a-tetrahydro-1H-pyrido[1,2-d][1,2,4]oxadiazin-9-ol;9-[(3-fluoro-5-methylphenyl)methyl]-4-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazine;9-(3-fluoro-5-methylphenyl)sulfonyl-4-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazine (CID 158141242) is 9-(3,5-difluorophenyl)sulfanyl-4-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazine;9-(3-fluoro-5-methylphenyl)-4-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazine;9-(3-fluoro-5-methylphenyl)-4-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]-6,7,8,9a-tetrahydro-1H-pyrido[1,2-d][1,2,4]oxadiazin-9-ol;9-[(3-fluoro-5-methylphenyl)methyl]-4-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazine;9-(3-fluoro-5-methylphenyl)sulfonyl-4-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazine.

What is the SMILES notation for 9-(3,5-difluorophenyl)sulfanyl-4-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazine;9-(3-fluoro-5-methylphenyl)-4-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazine;9-(3-fluoro-5-methylphenyl)-4-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]-6,7,8,9a-tetrahydro-1H-pyrido[1,2-d][1,2,4]oxadiazin-9-ol;9-[(3-fluoro-5-methylphenyl)methyl]-4-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazine;9-(3-fluoro-5-methylphenyl)sulfonyl-4-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazine?

The canonical SMILES for 9-(3,5-difluorophenyl)sulfanyl-4-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazine;9-(3-fluoro-5-methylphenyl)-4-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazine;9-(3-fluoro-5-methylphenyl)-4-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]-6,7,8,9a-tetrahydro-1H-pyrido[1,2-d][1,2,4]oxadiazin-9-ol;9-[(3-fluoro-5-methylphenyl)methyl]-4-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazine;9-(3-fluoro-5-methylphenyl)sulfonyl-4-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazine is Cc1cc(F)cc(C2(O)CCCN3C(c4ccc(-n5cnc(C)c5)c(C)c4)=NOCC32)c1.Cc1cc(F)cc(C2CCCN3C(c4ccc(-n5cnc(C)c5)c(C)c4)=NOCC23)c1.Cc1cc(F)cc(CC2CCCN3C(c4ccc(-n5cnc(C)c5)c(C)c4)=NOCC23)c1.Cc1cc(F)cc(S(=O)(=O)C2CCCN3C(c4ccc(-n5cnc(C)c5)c(C)c4)=NOCC23)c1.Cc1cn(-c2ccc(C3=NOCC4C(Sc5cc(F)cc(F)c5)CCCN34)cc2C)cn1.

What is the InChIKey of 9-(3,5-difluorophenyl)sulfanyl-4-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazine;9-(3-fluoro-5-methylphenyl)-4-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazine;9-(3-fluoro-5-methylphenyl)-4-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]-6,7,8,9a-tetrahydro-1H-pyrido[1,2-d][1,2,4]oxadiazin-9-ol;9-[(3-fluoro-5-methylphenyl)methyl]-4-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazine;9-(3-fluoro-5-methylphenyl)sulfonyl-4-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazine?

The InChIKey is FTYUVYORXAPKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN4O.C25H27FN4O3S.C25H27FN4O2.C25H27FN4O.C24H24F2N4OS/c1-17-9-20(13-23(27)10-17)12-21-5-4-8-31-25(21)15-32-29-26(31)22-6-7-24(18(2)11-22)30-14-19(3)28-16-30;1-16-9-20(26)12-21(10-16)34(31,32)24-5-4-8-30-23(24)14-33-28-25(30)19-6-7-22(17(2)11-19)29-13-18(3)27-15-29;1-16-9-20(12-21(26)10-16)25(31)7-4-8-30-23(25)14-32-28-24(30)19-5-6-22(17(2)11-19)29-13-18(3)27-15-29;1-16-9-20(12-21(26)10-16)22-5-4-8-30-24(22)14-31-28-25(30)19-6-7-23(17(2)11-19)29-13-18(3)27-15-29;1-15-8-17(5-6-21(15)29-12-16(2)27-14-29)24-28-31-13-22-23(4-3-7-30(22)24)32-20-10-18(25)9-19(26)11-20/h6-7,9-11,13-14,16,21,25H,4-5,8,12,15H2,1-3H3;6-7,9-13,15,23-24H,4-5,8,14H2,1-3H3;5-6,9-13,15,23,31H,4,7-8,14H2,1-3H3;6-7,9-13,15,22,24H,4-5,8,14H2,1-3H3;5-6,8-12,14,22-23H,3-4,7,13H2,1-2H3.

What are the key properties of 9-(3,5-difluorophenyl)sulfanyl-4-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazine;9-(3-fluoro-5-methylphenyl)-4-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazine;9-(3-fluoro-5-methylphenyl)-4-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]-6,7,8,9a-tetrahydro-1H-pyrido[1,2-d][1,2,4]oxadiazin-9-ol;9-[(3-fluoro-5-methylphenyl)methyl]-4-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazine;9-(3-fluoro-5-methylphenyl)sulfonyl-4-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazine?

9-(3,5-difluorophenyl)sulfanyl-4-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazine;9-(3-fluoro-5-methylphenyl)-4-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazine;9-(3-fluoro-5-methylphenyl)-4-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]-6,7,8,9a-tetrahydro-1H-pyrido[1,2-d][1,2,4]oxadiazin-9-ol;9-[(3-fluoro-5-methylphenyl)methyl]-4-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazine;9-(3-fluoro-5-methylphenyl)sulfonyl-4-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazine has a molecular weight of 2222.70 g/mol, XLogP of 22.83, 18 rotatable bonds, 1 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(3,5-difluorophenyl)sulfanyl-4-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazine;9-(3-fluoro-5-methylphenyl)-4-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazine;9-(3-fluoro-5-methylphenyl)-4-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]-6,7,8,9a-tetrahydro-1H-pyrido[1,2-d][1,2,4]oxadiazin-9-ol;9-[(3-fluoro-5-methylphenyl)methyl]-4-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazine;9-(3-fluoro-5-methylphenyl)sulfonyl-4-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazine is sourced from PubChem (CID 158141242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).