2,6-difluoro-N-[5-[6-(trifluoromethyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl]pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-[6-(trifluoromethyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl]-2-pyridinyl]benzamide;2,6-difluoro-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-2-pyridinyl]benzamide;2-fluoro-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-2-pyridinyl]benzamide;2-methyl-N-[5-[6-(trifluoromethyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl]-2-pyridinyl]benzamide;2-methyl-N-[5-[6-(trifluoromethyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl]-2-pyridinyl]propanamide

C127H114F25N13O6S2 — CID 158515952

About 2,6-difluoro-N-[5-[6-(trifluoromethyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl]pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-[6-(trifluoromethyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl]-2-pyridinyl]benzamide;2,6-difluoro-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-2-pyridinyl]benzamide;2-fluoro-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-2-pyridinyl]benzamide;2-methyl-N-[5-[6-(trifluoromethyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl]-2-pyridinyl]benzamide;2-methyl-N-[5-[6-(trifluoromethyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl]-2-pyridinyl]propanamide

2,6-difluoro-N-[5-[6-(trifluoromethyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl]pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-[6-(trifluoromethyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl]-2-pyridinyl]benzamide;2,6-difluoro-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-2-pyridinyl]benzamide;2-fluoro-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-2-pyridinyl]benzamide;2-methyl-N-[5-[6-(trifluoromethyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl]-2-pyridinyl]benzamide;2-methyl-N-[5-[6-(trifluoromethyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl]-2-pyridinyl]propanamide (PubChem CID 158515952) has the molecular formula C127H114F25N13O6S2 and a molecular weight of 2457.48 g/mol. Its IUPAC name is 2,6-difluoro-N-[5-[6-(trifluoromethyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl]pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-[6-(trifluoromethyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl]-2-pyridinyl]benzamide;2,6-difluoro-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-2-pyridinyl]benzamide;2-fluoro-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-2-pyridinyl]benzamide;2-methyl-N-[5-[6-(trifluoromethyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl]-2-pyridinyl]benzamide;2-methyl-N-[5-[6-(trifluoromethyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl]-2-pyridinyl]propanamide.

Molecular Properties

• Compound Name: 2,6-difluoro-N-[5-[6-(trifluoromethyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl]pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-[6-(trifluoromethyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl]-2-pyridinyl]benzamide;2,6-difluoro-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-2-pyridinyl]benzamide;2-fluoro-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-2-pyridinyl]benzamide;2-methyl-N-[5-[6-(trifluoromethyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl]-2-pyridinyl]benzamide;2-methyl-N-[5-[6-(trifluoromethyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl]-2-pyridinyl]propanamide
• PubChem CID: 158515952
• Molecular Formula: C127H114F25N13O6S2
• Molecular Weight: 2457.48 g/mol
• Exact Mass: 2455.81
• IUPAC Name: 2,6-difluoro-N-[5-[6-(trifluoromethyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl]pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-[6-(trifluoromethyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl]-2-pyridinyl]benzamide;2,6-difluoro-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-2-pyridinyl]benzamide;2-fluoro-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-2-pyridinyl]benzamide;2-methyl-N-[5-[6-(trifluoromethyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl]-2-pyridinyl]benzamide;2-methyl-N-[5-[6-(trifluoromethyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl]-2-pyridinyl]propanamide
• SMILES: CC(C)C(=O)Nc1ccc(C2=C(C(F)(F)F)CC3CCCC3C2)cn1.Cc1ccccc1C(=O)Nc1ccc(C2=C(C(F)(F)F)CC3CCCC3C2)cn1.O=C(Nc1ccc(-c2c(C(F)(F)F)sc3c2CCCC3)cn1)c1c(F)cccc1F.O=C(Nc1ccc(-c2c(C(F)(F)F)sc3c2CCCC3)cn1)c1ccccc1F.O=C(Nc1ccc(C2=C(C(F)(F)F)CC3CCCC3C2)cn1)c1c(F)cccc1F.O=C(Nc1cnc(C2=C(C(F)(F)F)CC3CCCC3C2)cn1)c1c(F)cccc1F
• InChI: InChI=1S/C23H23F3N2O.C22H19F5N2O.C21H18F5N3O.C21H15F5N2OS.C21H16F4N2OS.C19H23F3N2O/c1-14-5-2-3-8-18(14)22(29)28-21-10-9-17(13-27-21)19-11-15-6-4-7-16(15)12-20(19)23(24,25)26;23-17-5-2-6-18(24)20(17)21(30)29-19-8-7-14(11-28-19)15-9-12-3-1-4-13(12)10-16(15)22(25,26)27;22-15-5-2-6-16(23)19(15)20(30)29-18-10-27-17(9-28-18)13-7-11-3-1-4-12(11)8-14(13)21(24,25)26;22-13-5-3-6-14(23)18(13)20(29)28-16-9-8-11(10-27-16)17-12-4-1-2-7-15(12)30-19(17)21(24,25)26;22-15-7-3-1-5-13(15)20(28)27-17-10-9-12(11-26-17)18-14-6-2-4-8-16(14)29-19(18)21(23,24)25;1-11(2)18(25)24-17-7-6-14(10-23-17)15-8-12-4-3-5-13(12)9-16(15)19(20,21)22/h2-3,5,8-10,13,15-16H,4,6-7,11-12H2,1H3,(H,27,28,29);2,5-8,11-13H,1,3-4,9-10H2,(H,28,29,30);2,5-6,9-12H,1,3-4,7-8H2,(H,28,29,30);3,5-6,8-10H,1-2,4,7H2,(H,27,28,29);1,3,5,7,9-11H,2,4,6,8H2,(H,26,27,28);6-7,10-13H,3-5,8-9H2,1-2H3,(H,23,24,25)
• InChIKey: HLPXJTILEYATJF-UHFFFAOYSA-N
• XLogP: 35.38
• TPSA: 264.83 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 15
• Rotatable Bonds: 18
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2457.48
LogP ≤ 5	35.38
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[5-[6-(trifluoromethyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl]pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-[6-(trifluoromethyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl]-2-pyridinyl]benzamide;2,6-difluoro-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-2-pyridinyl]benzamide;2-fluoro-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-2-pyridinyl]benzamide;2-methyl-N-[5-[6-(trifluoromethyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl]-2-pyridinyl]benzamide;2-methyl-N-[5-[6-(trifluoromethyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl]-2-pyridinyl]propanamide?

The IUPAC name of 2,6-difluoro-N-[5-[6-(trifluoromethyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl]pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-[6-(trifluoromethyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl]-2-pyridinyl]benzamide;2,6-difluoro-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-2-pyridinyl]benzamide;2-fluoro-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-2-pyridinyl]benzamide;2-methyl-N-[5-[6-(trifluoromethyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl]-2-pyridinyl]benzamide;2-methyl-N-[5-[6-(trifluoromethyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl]-2-pyridinyl]propanamide (CID 158515952) is 2,6-difluoro-N-[5-[6-(trifluoromethyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl]pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-[6-(trifluoromethyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl]-2-pyridinyl]benzamide;2,6-difluoro-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-2-pyridinyl]benzamide;2-fluoro-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-2-pyridinyl]benzamide;2-methyl-N-[5-[6-(trifluoromethyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl]-2-pyridinyl]benzamide;2-methyl-N-[5-[6-(trifluoromethyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl]-2-pyridinyl]propanamide.

What is the SMILES notation for 2,6-difluoro-N-[5-[6-(trifluoromethyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl]pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-[6-(trifluoromethyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl]-2-pyridinyl]benzamide;2,6-difluoro-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-2-pyridinyl]benzamide;2-fluoro-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-2-pyridinyl]benzamide;2-methyl-N-[5-[6-(trifluoromethyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl]-2-pyridinyl]benzamide;2-methyl-N-[5-[6-(trifluoromethyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl]-2-pyridinyl]propanamide?

The canonical SMILES for 2,6-difluoro-N-[5-[6-(trifluoromethyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl]pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-[6-(trifluoromethyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl]-2-pyridinyl]benzamide;2,6-difluoro-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-2-pyridinyl]benzamide;2-fluoro-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-2-pyridinyl]benzamide;2-methyl-N-[5-[6-(trifluoromethyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl]-2-pyridinyl]benzamide;2-methyl-N-[5-[6-(trifluoromethyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl]-2-pyridinyl]propanamide is CC(C)C(=O)Nc1ccc(C2=C(C(F)(F)F)CC3CCCC3C2)cn1.Cc1ccccc1C(=O)Nc1ccc(C2=C(C(F)(F)F)CC3CCCC3C2)cn1.O=C(Nc1ccc(-c2c(C(F)(F)F)sc3c2CCCC3)cn1)c1c(F)cccc1F.O=C(Nc1ccc(-c2c(C(F)(F)F)sc3c2CCCC3)cn1)c1ccccc1F.O=C(Nc1ccc(C2=C(C(F)(F)F)CC3CCCC3C2)cn1)c1c(F)cccc1F.O=C(Nc1cnc(C2=C(C(F)(F)F)CC3CCCC3C2)cn1)c1c(F)cccc1F.

What is the InChIKey of 2,6-difluoro-N-[5-[6-(trifluoromethyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl]pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-[6-(trifluoromethyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl]-2-pyridinyl]benzamide;2,6-difluoro-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-2-pyridinyl]benzamide;2-fluoro-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-2-pyridinyl]benzamide;2-methyl-N-[5-[6-(trifluoromethyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl]-2-pyridinyl]benzamide;2-methyl-N-[5-[6-(trifluoromethyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl]-2-pyridinyl]propanamide?

The InChIKey is HLPXJTILEYATJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N2O.C22H19F5N2O.C21H18F5N3O.C21H15F5N2OS.C21H16F4N2OS.C19H23F3N2O/c1-14-5-2-3-8-18(14)22(29)28-21-10-9-17(13-27-21)19-11-15-6-4-7-16(15)12-20(19)23(24,25)26;23-17-5-2-6-18(24)20(17)21(30)29-19-8-7-14(11-28-19)15-9-12-3-1-4-13(12)10-16(15)22(25,26)27;22-15-5-2-6-16(23)19(15)20(30)29-18-10-27-17(9-28-18)13-7-11-3-1-4-12(11)8-14(13)21(24,25)26;22-13-5-3-6-14(23)18(13)20(29)28-16-9-8-11(10-27-16)17-12-4-1-2-7-15(12)30-19(17)21(24,25)26;22-15-7-3-1-5-13(15)20(28)27-17-10-9-12(11-26-17)18-14-6-2-4-8-16(14)29-19(18)21(23,24)25;1-11(2)18(25)24-17-7-6-14(10-23-17)15-8-12-4-3-5-13(12)9-16(15)19(20,21)22/h2-3,5,8-10,13,15-16H,4,6-7,11-12H2,1H3,(H,27,28,29);2,5-8,11-13H,1,3-4,9-10H2,(H,28,29,30);2,5-6,9-12H,1,3-4,7-8H2,(H,28,29,30);3,5-6,8-10H,1-2,4,7H2,(H,27,28,29);1,3,5,7,9-11H,2,4,6,8H2,(H,26,27,28);6-7,10-13H,3-5,8-9H2,1-2H3,(H,23,24,25).

What are the key properties of 2,6-difluoro-N-[5-[6-(trifluoromethyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl]pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-[6-(trifluoromethyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl]-2-pyridinyl]benzamide;2,6-difluoro-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-2-pyridinyl]benzamide;2-fluoro-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-2-pyridinyl]benzamide;2-methyl-N-[5-[6-(trifluoromethyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl]-2-pyridinyl]benzamide;2-methyl-N-[5-[6-(trifluoromethyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl]-2-pyridinyl]propanamide?

2,6-difluoro-N-[5-[6-(trifluoromethyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl]pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-[6-(trifluoromethyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl]-2-pyridinyl]benzamide;2,6-difluoro-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-2-pyridinyl]benzamide;2-fluoro-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-2-pyridinyl]benzamide;2-methyl-N-[5-[6-(trifluoromethyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl]-2-pyridinyl]benzamide;2-methyl-N-[5-[6-(trifluoromethyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl]-2-pyridinyl]propanamide has a molecular weight of 2457.48 g/mol, XLogP of 35.38, 18 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-difluoro-N-[5-[6-(trifluoromethyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl]pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-[6-(trifluoromethyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl]-2-pyridinyl]benzamide;2,6-difluoro-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-2-pyridinyl]benzamide;2-fluoro-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-2-pyridinyl]benzamide;2-methyl-N-[5-[6-(trifluoromethyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl]-2-pyridinyl]benzamide;2-methyl-N-[5-[6-(trifluoromethyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl]-2-pyridinyl]propanamide is sourced from PubChem (CID 158515952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).