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

C140H126F27N19O7 — CID 158603981

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

2,6-difluoro-N-[5-(2-methyl-3,3a,4,5,6,6a-hexahydropentalen-1-yl)-2-pyridinyl]benzamide;bis(2,6-difluoro-N-[5-[2-(trifluoromethyl)-3,3a,4,5,6,6a-hexahydropentalen-1-yl]pyrazin-2-yl]benzamide);2,6-difluoro-N-[5-[2-(trifluoromethyl)-3,3a,4,5,6,6a-hexahydropentalen-1-yl]-2-pyridinyl]benzamide;2-fluoro-N-[5-[2-(trifluoromethyl)-3,3a,4,5,6,6a-hexahydropentalen-1-yl]pyrazin-2-yl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-3,3a,4,5,6,6a-hexahydropentalen-1-yl]pyrazin-2-yl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-3,3a,4,5,6,6a-hexahydropentalen-1-yl]pyrazin-2-yl]propanamide (PubChem CID 158603981) has the molecular formula C140H126F27N19O7 and a molecular weight of 2699.62 g/mol. Its IUPAC name is 2,6-difluoro-N-[5-(2-methyl-3,3a,4,5,6,6a-hexahydropentalen-1-yl)-2-pyridinyl]benzamide;bis(2,6-difluoro-N-[5-[2-(trifluoromethyl)-3,3a,4,5,6,6a-hexahydropentalen-1-yl]pyrazin-2-yl]benzamide);2,6-difluoro-N-[5-[2-(trifluoromethyl)-3,3a,4,5,6,6a-hexahydropentalen-1-yl]-2-pyridinyl]benzamide;2-fluoro-N-[5-[2-(trifluoromethyl)-3,3a,4,5,6,6a-hexahydropentalen-1-yl]pyrazin-2-yl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-3,3a,4,5,6,6a-hexahydropentalen-1-yl]pyrazin-2-yl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-3,3a,4,5,6,6a-hexahydropentalen-1-yl]pyrazin-2-yl]propanamide.

Molecular Properties

• Compound Name: 2,6-difluoro-N-[5-(2-methyl-3,3a,4,5,6,6a-hexahydropentalen-1-yl)-2-pyridinyl]benzamide;bis(2,6-difluoro-N-[5-[2-(trifluoromethyl)-3,3a,4,5,6,6a-hexahydropentalen-1-yl]pyrazin-2-yl]benzamide);2,6-difluoro-N-[5-[2-(trifluoromethyl)-3,3a,4,5,6,6a-hexahydropentalen-1-yl]-2-pyridinyl]benzamide;2-fluoro-N-[5-[2-(trifluoromethyl)-3,3a,4,5,6,6a-hexahydropentalen-1-yl]pyrazin-2-yl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-3,3a,4,5,6,6a-hexahydropentalen-1-yl]pyrazin-2-yl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-3,3a,4,5,6,6a-hexahydropentalen-1-yl]pyrazin-2-yl]propanamide
• PubChem CID: 158603981
• Molecular Formula: C140H126F27N19O7
• Molecular Weight: 2699.62 g/mol
• Exact Mass: 2697.97
• IUPAC Name: 2,6-difluoro-N-[5-(2-methyl-3,3a,4,5,6,6a-hexahydropentalen-1-yl)-2-pyridinyl]benzamide;bis(2,6-difluoro-N-[5-[2-(trifluoromethyl)-3,3a,4,5,6,6a-hexahydropentalen-1-yl]pyrazin-2-yl]benzamide);2,6-difluoro-N-[5-[2-(trifluoromethyl)-3,3a,4,5,6,6a-hexahydropentalen-1-yl]-2-pyridinyl]benzamide;2-fluoro-N-[5-[2-(trifluoromethyl)-3,3a,4,5,6,6a-hexahydropentalen-1-yl]pyrazin-2-yl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-3,3a,4,5,6,6a-hexahydropentalen-1-yl]pyrazin-2-yl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-3,3a,4,5,6,6a-hexahydropentalen-1-yl]pyrazin-2-yl]propanamide
• SMILES: CC(C)C(=O)Nc1cnc(C2=C(C(F)(F)F)CC3CCCC23)cn1.CC1=C(c2ccc(NC(=O)c3c(F)cccc3F)nc2)C2CCCC2C1.Cc1ccccc1C(=O)Nc1cnc(C2=C(C(F)(F)F)CC3CCCC23)cn1.O=C(Nc1ccc(C2=C(C(F)(F)F)CC3CCCC23)cn1)c1c(F)cccc1F.O=C(Nc1cnc(C2=C(C(F)(F)F)CC3CCCC23)cn1)c1c(F)cccc1F.O=C(Nc1cnc(C2=C(C(F)(F)F)CC3CCCC23)cn1)c1c(F)cccc1F.O=C(Nc1cnc(C2=C(C(F)(F)F)CC3CCCC23)cn1)c1ccccc1F
• InChI: InChI=1S/C21H17F5N2O.C21H20F3N3O.C21H20F2N2O.2C20H16F5N3O.C20H17F4N3O.C17H20F3N3O/c22-15-5-2-6-16(23)19(15)20(29)28-17-8-7-12(10-27-17)18-13-4-1-3-11(13)9-14(18)21(24,25)26;1-12-5-2-3-7-14(12)20(28)27-18-11-25-17(10-26-18)19-15-8-4-6-13(15)9-16(19)21(22,23)24;1-12-10-13-4-2-5-15(13)19(12)14-8-9-18(24-11-14)25-21(26)20-16(22)6-3-7-17(20)23;2*21-13-5-2-6-14(22)18(13)19(29)28-16-9-26-15(8-27-16)17-11-4-1-3-10(11)7-12(17)20(23,24)25;21-15-7-2-1-5-13(15)19(28)27-17-10-25-16(9-26-17)18-12-6-3-4-11(12)8-14(18)20(22,23)24;1-9(2)16(24)23-14-8-21-13(7-22-14)15-11-5-3-4-10(11)6-12(15)17(18,19)20/h2,5-8,10-11,13H,1,3-4,9H2,(H,27,28,29);2-3,5,7,10-11,13,15H,4,6,8-9H2,1H3,(H,26,27,28);3,6-9,11,13,15H,2,4-5,10H2,1H3,(H,24,25,26);2*2,5-6,8-11H,1,3-4,7H2,(H,27,28,29);1-2,5,7,9-12H,3-4,6,8H2,(H,26,27,28);7-11H,3-6H2,1-2H3,(H,22,23,24)
• InChIKey: HVZHYTYQCIRXCT-UHFFFAOYSA-N
• XLogP: 35.62
• TPSA: 358.38 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 19
• Rotatable Bonds: 21
• Heavy Atoms: 193
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2699.62
LogP ≤ 5	35.62
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[5-(2-methyl-3,3a,4,5,6,6a-hexahydropentalen-1-yl)-2-pyridinyl]benzamide;bis(2,6-difluoro-N-[5-[2-(trifluoromethyl)-3,3a,4,5,6,6a-hexahydropentalen-1-yl]pyrazin-2-yl]benzamide);2,6-difluoro-N-[5-[2-(trifluoromethyl)-3,3a,4,5,6,6a-hexahydropentalen-1-yl]-2-pyridinyl]benzamide;2-fluoro-N-[5-[2-(trifluoromethyl)-3,3a,4,5,6,6a-hexahydropentalen-1-yl]pyrazin-2-yl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-3,3a,4,5,6,6a-hexahydropentalen-1-yl]pyrazin-2-yl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-3,3a,4,5,6,6a-hexahydropentalen-1-yl]pyrazin-2-yl]propanamide?

The IUPAC name of 2,6-difluoro-N-[5-(2-methyl-3,3a,4,5,6,6a-hexahydropentalen-1-yl)-2-pyridinyl]benzamide;bis(2,6-difluoro-N-[5-[2-(trifluoromethyl)-3,3a,4,5,6,6a-hexahydropentalen-1-yl]pyrazin-2-yl]benzamide);2,6-difluoro-N-[5-[2-(trifluoromethyl)-3,3a,4,5,6,6a-hexahydropentalen-1-yl]-2-pyridinyl]benzamide;2-fluoro-N-[5-[2-(trifluoromethyl)-3,3a,4,5,6,6a-hexahydropentalen-1-yl]pyrazin-2-yl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-3,3a,4,5,6,6a-hexahydropentalen-1-yl]pyrazin-2-yl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-3,3a,4,5,6,6a-hexahydropentalen-1-yl]pyrazin-2-yl]propanamide (CID 158603981) is 2,6-difluoro-N-[5-(2-methyl-3,3a,4,5,6,6a-hexahydropentalen-1-yl)-2-pyridinyl]benzamide;bis(2,6-difluoro-N-[5-[2-(trifluoromethyl)-3,3a,4,5,6,6a-hexahydropentalen-1-yl]pyrazin-2-yl]benzamide);2,6-difluoro-N-[5-[2-(trifluoromethyl)-3,3a,4,5,6,6a-hexahydropentalen-1-yl]-2-pyridinyl]benzamide;2-fluoro-N-[5-[2-(trifluoromethyl)-3,3a,4,5,6,6a-hexahydropentalen-1-yl]pyrazin-2-yl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-3,3a,4,5,6,6a-hexahydropentalen-1-yl]pyrazin-2-yl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-3,3a,4,5,6,6a-hexahydropentalen-1-yl]pyrazin-2-yl]propanamide.

What is the SMILES notation for 2,6-difluoro-N-[5-(2-methyl-3,3a,4,5,6,6a-hexahydropentalen-1-yl)-2-pyridinyl]benzamide;bis(2,6-difluoro-N-[5-[2-(trifluoromethyl)-3,3a,4,5,6,6a-hexahydropentalen-1-yl]pyrazin-2-yl]benzamide);2,6-difluoro-N-[5-[2-(trifluoromethyl)-3,3a,4,5,6,6a-hexahydropentalen-1-yl]-2-pyridinyl]benzamide;2-fluoro-N-[5-[2-(trifluoromethyl)-3,3a,4,5,6,6a-hexahydropentalen-1-yl]pyrazin-2-yl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-3,3a,4,5,6,6a-hexahydropentalen-1-yl]pyrazin-2-yl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-3,3a,4,5,6,6a-hexahydropentalen-1-yl]pyrazin-2-yl]propanamide?

The canonical SMILES for 2,6-difluoro-N-[5-(2-methyl-3,3a,4,5,6,6a-hexahydropentalen-1-yl)-2-pyridinyl]benzamide;bis(2,6-difluoro-N-[5-[2-(trifluoromethyl)-3,3a,4,5,6,6a-hexahydropentalen-1-yl]pyrazin-2-yl]benzamide);2,6-difluoro-N-[5-[2-(trifluoromethyl)-3,3a,4,5,6,6a-hexahydropentalen-1-yl]-2-pyridinyl]benzamide;2-fluoro-N-[5-[2-(trifluoromethyl)-3,3a,4,5,6,6a-hexahydropentalen-1-yl]pyrazin-2-yl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-3,3a,4,5,6,6a-hexahydropentalen-1-yl]pyrazin-2-yl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-3,3a,4,5,6,6a-hexahydropentalen-1-yl]pyrazin-2-yl]propanamide is CC(C)C(=O)Nc1cnc(C2=C(C(F)(F)F)CC3CCCC23)cn1.CC1=C(c2ccc(NC(=O)c3c(F)cccc3F)nc2)C2CCCC2C1.Cc1ccccc1C(=O)Nc1cnc(C2=C(C(F)(F)F)CC3CCCC23)cn1.O=C(Nc1ccc(C2=C(C(F)(F)F)CC3CCCC23)cn1)c1c(F)cccc1F.O=C(Nc1cnc(C2=C(C(F)(F)F)CC3CCCC23)cn1)c1c(F)cccc1F.O=C(Nc1cnc(C2=C(C(F)(F)F)CC3CCCC23)cn1)c1c(F)cccc1F.O=C(Nc1cnc(C2=C(C(F)(F)F)CC3CCCC23)cn1)c1ccccc1F.

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

The InChIKey is HVZHYTYQCIRXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F5N2O.C21H20F3N3O.C21H20F2N2O.2C20H16F5N3O.C20H17F4N3O.C17H20F3N3O/c22-15-5-2-6-16(23)19(15)20(29)28-17-8-7-12(10-27-17)18-13-4-1-3-11(13)9-14(18)21(24,25)26;1-12-5-2-3-7-14(12)20(28)27-18-11-25-17(10-26-18)19-15-8-4-6-13(15)9-16(19)21(22,23)24;1-12-10-13-4-2-5-15(13)19(12)14-8-9-18(24-11-14)25-21(26)20-16(22)6-3-7-17(20)23;2*21-13-5-2-6-14(22)18(13)19(29)28-16-9-26-15(8-27-16)17-11-4-1-3-10(11)7-12(17)20(23,24)25;21-15-7-2-1-5-13(15)19(28)27-17-10-25-16(9-26-17)18-12-6-3-4-11(12)8-14(18)20(22,23)24;1-9(2)16(24)23-14-8-21-13(7-22-14)15-11-5-3-4-10(11)6-12(15)17(18,19)20/h2,5-8,10-11,13H,1,3-4,9H2,(H,27,28,29);2-3,5,7,10-11,13,15H,4,6,8-9H2,1H3,(H,26,27,28);3,6-9,11,13,15H,2,4-5,10H2,1H3,(H,24,25,26);2*2,5-6,8-11H,1,3-4,7H2,(H,27,28,29);1-2,5,7,9-12H,3-4,6,8H2,(H,26,27,28);7-11H,3-6H2,1-2H3,(H,22,23,24).

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

2,6-difluoro-N-[5-(2-methyl-3,3a,4,5,6,6a-hexahydropentalen-1-yl)-2-pyridinyl]benzamide;bis(2,6-difluoro-N-[5-[2-(trifluoromethyl)-3,3a,4,5,6,6a-hexahydropentalen-1-yl]pyrazin-2-yl]benzamide);2,6-difluoro-N-[5-[2-(trifluoromethyl)-3,3a,4,5,6,6a-hexahydropentalen-1-yl]-2-pyridinyl]benzamide;2-fluoro-N-[5-[2-(trifluoromethyl)-3,3a,4,5,6,6a-hexahydropentalen-1-yl]pyrazin-2-yl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-3,3a,4,5,6,6a-hexahydropentalen-1-yl]pyrazin-2-yl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-3,3a,4,5,6,6a-hexahydropentalen-1-yl]pyrazin-2-yl]propanamide has a molecular weight of 2699.62 g/mol, XLogP of 35.62, 21 rotatable bonds, 7 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-difluoro-N-[5-(2-methyl-3,3a,4,5,6,6a-hexahydropentalen-1-yl)-2-pyridinyl]benzamide;bis(2,6-difluoro-N-[5-[2-(trifluoromethyl)-3,3a,4,5,6,6a-hexahydropentalen-1-yl]pyrazin-2-yl]benzamide);2,6-difluoro-N-[5-[2-(trifluoromethyl)-3,3a,4,5,6,6a-hexahydropentalen-1-yl]-2-pyridinyl]benzamide;2-fluoro-N-[5-[2-(trifluoromethyl)-3,3a,4,5,6,6a-hexahydropentalen-1-yl]pyrazin-2-yl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-3,3a,4,5,6,6a-hexahydropentalen-1-yl]pyrazin-2-yl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-3,3a,4,5,6,6a-hexahydropentalen-1-yl]pyrazin-2-yl]propanamide is sourced from PubChem (CID 158603981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).