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

C126H119F25N16O6 — CID 157306669

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

bis(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-fluoro-N-[5-[6-(trifluoromethyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl]pyrazin-2-yl]benzamide;2-methyl-N-[5-[6-(trifluoromethyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl]pyrazin-2-yl]benzamide;2-methyl-N-[5-[6-(trifluoromethyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl]-2-pyridinyl]propanamide (PubChem CID 157306669) has the molecular formula C126H119F25N16O6 and a molecular weight of 2428.39 g/mol. Its IUPAC name is bis(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-fluoro-N-[5-[6-(trifluoromethyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl]pyrazin-2-yl]benzamide;2-methyl-N-[5-[6-(trifluoromethyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl]pyrazin-2-yl]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: bis(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-fluoro-N-[5-[6-(trifluoromethyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl]pyrazin-2-yl]benzamide;2-methyl-N-[5-[6-(trifluoromethyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl]pyrazin-2-yl]benzamide;2-methyl-N-[5-[6-(trifluoromethyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl]-2-pyridinyl]propanamide
• PubChem CID: 157306669
• Molecular Formula: C126H119F25N16O6
• Molecular Weight: 2428.39 g/mol
• Exact Mass: 2426.91
• IUPAC Name: bis(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-fluoro-N-[5-[6-(trifluoromethyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl]pyrazin-2-yl]benzamide;2-methyl-N-[5-[6-(trifluoromethyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl]pyrazin-2-yl]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)Nc1cnc(C2=C(C(F)(F)F)CC3CCCC3C2)cn1.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.O=C(Nc1cnc(C2=C(C(F)(F)F)CC3CCCC3C2)cn1)c1c(F)cccc1F.O=C(Nc1cnc(C2=C(C(F)(F)F)CC3CCCC3C2)cn1)c1ccccc1F
• InChI: InChI=1S/C22H19F5N2O.C22H22F3N3O.2C21H18F5N3O.C21H19F4N3O.C19H23F3N2O/c23-17-5-2-6-18(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;1-13-5-2-3-8-16(13)21(29)28-20-12-26-19(11-27-20)17-9-14-6-4-7-15(14)10-18(17)22(23,24)25;2*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;22-17-7-2-1-6-14(17)20(29)28-19-11-26-18(10-27-19)15-8-12-4-3-5-13(12)9-16(15)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/h2,5-8,11-13H,1,3-4,9-10H2,(H,28,29,30);2-3,5,8,11-12,14-15H,4,6-7,9-10H2,1H3,(H,27,28,29);2*2,5-6,9-12H,1,3-4,7-8H2,(H,28,29,30);1-2,6-7,10-13H,3-5,8-9H2,(H,27,28,29);6-7,10-13H,3-5,8-9H2,1-2H3,(H,23,24,25)
• InChIKey: BCOCUIPZOZCYPB-UHFFFAOYSA-N
• XLogP: 33.36
• TPSA: 303.50 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 16
• Rotatable Bonds: 18
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2428.39
LogP ≤ 5	33.36
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of bis(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-fluoro-N-[5-[6-(trifluoromethyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl]pyrazin-2-yl]benzamide;2-methyl-N-[5-[6-(trifluoromethyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl]pyrazin-2-yl]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 bis(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-fluoro-N-[5-[6-(trifluoromethyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl]pyrazin-2-yl]benzamide;2-methyl-N-[5-[6-(trifluoromethyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl]pyrazin-2-yl]benzamide;2-methyl-N-[5-[6-(trifluoromethyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl]-2-pyridinyl]propanamide (CID 157306669) is bis(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-fluoro-N-[5-[6-(trifluoromethyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl]pyrazin-2-yl]benzamide;2-methyl-N-[5-[6-(trifluoromethyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl]pyrazin-2-yl]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 bis(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-fluoro-N-[5-[6-(trifluoromethyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl]pyrazin-2-yl]benzamide;2-methyl-N-[5-[6-(trifluoromethyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl]pyrazin-2-yl]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 bis(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-fluoro-N-[5-[6-(trifluoromethyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl]pyrazin-2-yl]benzamide;2-methyl-N-[5-[6-(trifluoromethyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl]pyrazin-2-yl]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)Nc1cnc(C2=C(C(F)(F)F)CC3CCCC3C2)cn1.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.O=C(Nc1cnc(C2=C(C(F)(F)F)CC3CCCC3C2)cn1)c1c(F)cccc1F.O=C(Nc1cnc(C2=C(C(F)(F)F)CC3CCCC3C2)cn1)c1ccccc1F.

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

The InChIKey is BCOCUIPZOZCYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F5N2O.C22H22F3N3O.2C21H18F5N3O.C21H19F4N3O.C19H23F3N2O/c23-17-5-2-6-18(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;1-13-5-2-3-8-16(13)21(29)28-20-12-26-19(11-27-20)17-9-14-6-4-7-15(14)10-18(17)22(23,24)25;2*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;22-17-7-2-1-6-14(17)20(29)28-19-11-26-18(10-27-19)15-8-12-4-3-5-13(12)9-16(15)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/h2,5-8,11-13H,1,3-4,9-10H2,(H,28,29,30);2-3,5,8,11-12,14-15H,4,6-7,9-10H2,1H3,(H,27,28,29);2*2,5-6,9-12H,1,3-4,7-8H2,(H,28,29,30);1-2,6-7,10-13H,3-5,8-9H2,(H,27,28,29);6-7,10-13H,3-5,8-9H2,1-2H3,(H,23,24,25).

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

bis(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-fluoro-N-[5-[6-(trifluoromethyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl]pyrazin-2-yl]benzamide;2-methyl-N-[5-[6-(trifluoromethyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl]pyrazin-2-yl]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 2428.39 g/mol, XLogP of 33.36, 18 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for bis(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-fluoro-N-[5-[6-(trifluoromethyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl]pyrazin-2-yl]benzamide;2-methyl-N-[5-[6-(trifluoromethyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl]pyrazin-2-yl]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 157306669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).