(3aR,6aS)-2-(4,6-dimethyl-2-pyridinyl)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(3aR,6aS)-2-(4,6-dimethylpyrimidin-2-yl)-5-[5-fluoro-2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;4-[[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]amino]-6-methylpyridine-3-carboxylic acid;2-[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]pyridine-3-carboxylic acid;(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-2-(4,5,6-trimethylpyrimidin-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole

C104H109F16N13O5 — CID 159305921

About (3aR,6aS)-2-(4,6-dimethyl-2-pyridinyl)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(3aR,6aS)-2-(4,6-dimethylpyrimidin-2-yl)-5-[5-fluoro-2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;4-[[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]amino]-6-methylpyridine-3-carboxylic acid;2-[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]pyridine-3-carboxylic acid;(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-2-(4,5,6-trimethylpyrimidin-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole

(3aR,6aS)-2-(4,6-dimethyl-2-pyridinyl)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(3aR,6aS)-2-(4,6-dimethylpyrimidin-2-yl)-5-[5-fluoro-2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;4-[[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]amino]-6-methylpyridine-3-carboxylic acid;2-[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]pyridine-3-carboxylic acid;(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-2-(4,5,6-trimethylpyrimidin-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (PubChem CID 159305921) has the molecular formula C104H109F16N13O5 and a molecular weight of 1925.07 g/mol. Its IUPAC name is (3aR,6aS)-2-(4,6-dimethyl-2-pyridinyl)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(3aR,6aS)-2-(4,6-dimethylpyrimidin-2-yl)-5-[5-fluoro-2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;4-[[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]amino]-6-methylpyridine-3-carboxylic acid;2-[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]pyridine-3-carboxylic acid;(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-2-(4,5,6-trimethylpyrimidin-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.

Molecular Properties

• Compound Name: (3aR,6aS)-2-(4,6-dimethyl-2-pyridinyl)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(3aR,6aS)-2-(4,6-dimethylpyrimidin-2-yl)-5-[5-fluoro-2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;4-[[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]amino]-6-methylpyridine-3-carboxylic acid;2-[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]pyridine-3-carboxylic acid;(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-2-(4,5,6-trimethylpyrimidin-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
• PubChem CID: 159305921
• Molecular Formula: C104H109F16N13O5
• Molecular Weight: 1925.07 g/mol
• Exact Mass: 1923.84
• IUPAC Name: (3aR,6aS)-2-(4,6-dimethyl-2-pyridinyl)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(3aR,6aS)-2-(4,6-dimethylpyrimidin-2-yl)-5-[5-fluoro-2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;4-[[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]amino]-6-methylpyridine-3-carboxylic acid;2-[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]pyridine-3-carboxylic acid;(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-2-(4,5,6-trimethylpyrimidin-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
• SMILES: Cc1cc(C)nc(N2C[C@H]3CC(c4cc(F)ccc4C(F)(F)F)C[C@H]3C2)n1.Cc1cc(C)nc(N2C[C@H]3CC(c4ccccc4C(F)(F)F)C[C@H]3C2)c1.Cc1cc(NC(=O)N2C[C@H]3CC(c4ccccc4C(F)(F)F)C[C@H]3C2)c(C(=O)O)cn1.Cc1nc(N2C[C@H]3CC(c4ccccc4C(F)(F)F)C[C@H]3C2)nc(C)c1C.O=C(O)c1cccnc1N1C[C@H]2CC(c3ccccc3C(F)(F)F)C[C@H]2C1
• InChI: InChI=1S/C22H22F3N3O3.C21H24F3N3.C21H23F3N2.C20H21F4N3.C20H19F3N2O2/c1-12-6-19(17(9-26-12)20(29)30)27-21(31)28-10-14-7-13(8-15(14)11-28)16-4-2-3-5-18(16)22(23,24)25;1-12-13(2)25-20(26-14(12)3)27-10-16-8-15(9-17(16)11-27)18-6-4-5-7-19(18)21(22,23)24;1-13-7-14(2)25-20(8-13)26-11-16-9-15(10-17(16)12-26)18-5-3-4-6-19(18)21(22,23)24;1-11-5-12(2)26-19(25-11)27-9-14-6-13(7-15(14)10-27)17-8-16(21)3-4-18(17)20(22,23)24;21-20(22,23)17-6-2-1-4-15(17)12-8-13-10-25(11-14(13)9-12)18-16(19(26)27)5-3-7-24-18/h2-6,9,13-15H,7-8,10-11H2,1H3,(H,29,30)(H,26,27,31);4-7,15-17H,8-11H2,1-3H3;3-8,15-17H,9-12H2,1-2H3;3-5,8,13-15H,6-7,9-10H2,1-2H3;1-7,12-14H,8-11H2,(H,26,27)/t13?,14-,15+;2*15?,16-,17+;13?,14-,15+;12?,13-,14+
• InChIKey: LBXMDWRQOOVWAS-LVHNOJOESA-N
• XLogP: 24.47
• TPSA: 210.13 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 12
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1925.07
LogP ≤ 5	24.47
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of (3aR,6aS)-2-(4,6-dimethyl-2-pyridinyl)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(3aR,6aS)-2-(4,6-dimethylpyrimidin-2-yl)-5-[5-fluoro-2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;4-[[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]amino]-6-methylpyridine-3-carboxylic acid;2-[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]pyridine-3-carboxylic acid;(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-2-(4,5,6-trimethylpyrimidin-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?

The IUPAC name of (3aR,6aS)-2-(4,6-dimethyl-2-pyridinyl)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(3aR,6aS)-2-(4,6-dimethylpyrimidin-2-yl)-5-[5-fluoro-2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;4-[[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]amino]-6-methylpyridine-3-carboxylic acid;2-[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]pyridine-3-carboxylic acid;(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-2-(4,5,6-trimethylpyrimidin-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (CID 159305921) is (3aR,6aS)-2-(4,6-dimethyl-2-pyridinyl)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(3aR,6aS)-2-(4,6-dimethylpyrimidin-2-yl)-5-[5-fluoro-2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;4-[[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]amino]-6-methylpyridine-3-carboxylic acid;2-[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]pyridine-3-carboxylic acid;(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-2-(4,5,6-trimethylpyrimidin-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.

What is the SMILES notation for (3aR,6aS)-2-(4,6-dimethyl-2-pyridinyl)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(3aR,6aS)-2-(4,6-dimethylpyrimidin-2-yl)-5-[5-fluoro-2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;4-[[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]amino]-6-methylpyridine-3-carboxylic acid;2-[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]pyridine-3-carboxylic acid;(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-2-(4,5,6-trimethylpyrimidin-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?

The canonical SMILES for (3aR,6aS)-2-(4,6-dimethyl-2-pyridinyl)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(3aR,6aS)-2-(4,6-dimethylpyrimidin-2-yl)-5-[5-fluoro-2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;4-[[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]amino]-6-methylpyridine-3-carboxylic acid;2-[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]pyridine-3-carboxylic acid;(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-2-(4,5,6-trimethylpyrimidin-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is Cc1cc(C)nc(N2C[C@H]3CC(c4cc(F)ccc4C(F)(F)F)C[C@H]3C2)n1.Cc1cc(C)nc(N2C[C@H]3CC(c4ccccc4C(F)(F)F)C[C@H]3C2)c1.Cc1cc(NC(=O)N2C[C@H]3CC(c4ccccc4C(F)(F)F)C[C@H]3C2)c(C(=O)O)cn1.Cc1nc(N2C[C@H]3CC(c4ccccc4C(F)(F)F)C[C@H]3C2)nc(C)c1C.O=C(O)c1cccnc1N1C[C@H]2CC(c3ccccc3C(F)(F)F)C[C@H]2C1.

What is the InChIKey of (3aR,6aS)-2-(4,6-dimethyl-2-pyridinyl)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(3aR,6aS)-2-(4,6-dimethylpyrimidin-2-yl)-5-[5-fluoro-2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;4-[[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]amino]-6-methylpyridine-3-carboxylic acid;2-[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]pyridine-3-carboxylic acid;(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-2-(4,5,6-trimethylpyrimidin-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?

The InChIKey is LBXMDWRQOOVWAS-LVHNOJOESA-N. The full InChI is InChI=1S/C22H22F3N3O3.C21H24F3N3.C21H23F3N2.C20H21F4N3.C20H19F3N2O2/c1-12-6-19(17(9-26-12)20(29)30)27-21(31)28-10-14-7-13(8-15(14)11-28)16-4-2-3-5-18(16)22(23,24)25;1-12-13(2)25-20(26-14(12)3)27-10-16-8-15(9-17(16)11-27)18-6-4-5-7-19(18)21(22,23)24;1-13-7-14(2)25-20(8-13)26-11-16-9-15(10-17(16)12-26)18-5-3-4-6-19(18)21(22,23)24;1-11-5-12(2)26-19(25-11)27-9-14-6-13(7-15(14)10-27)17-8-16(21)3-4-18(17)20(22,23)24;21-20(22,23)17-6-2-1-4-15(17)12-8-13-10-25(11-14(13)9-12)18-16(19(26)27)5-3-7-24-18/h2-6,9,13-15H,7-8,10-11H2,1H3,(H,29,30)(H,26,27,31);4-7,15-17H,8-11H2,1-3H3;3-8,15-17H,9-12H2,1-2H3;3-5,8,13-15H,6-7,9-10H2,1-2H3;1-7,12-14H,8-11H2,(H,26,27)/t13?,14-,15+;2*15?,16-,17+;13?,14-,15+;12?,13-,14+.

What are the key properties of (3aR,6aS)-2-(4,6-dimethyl-2-pyridinyl)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(3aR,6aS)-2-(4,6-dimethylpyrimidin-2-yl)-5-[5-fluoro-2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;4-[[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]amino]-6-methylpyridine-3-carboxylic acid;2-[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]pyridine-3-carboxylic acid;(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-2-(4,5,6-trimethylpyrimidin-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?

(3aR,6aS)-2-(4,6-dimethyl-2-pyridinyl)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(3aR,6aS)-2-(4,6-dimethylpyrimidin-2-yl)-5-[5-fluoro-2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;4-[[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]amino]-6-methylpyridine-3-carboxylic acid;2-[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]pyridine-3-carboxylic acid;(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-2-(4,5,6-trimethylpyrimidin-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole has a molecular weight of 1925.07 g/mol, XLogP of 24.47, 12 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for (3aR,6aS)-2-(4,6-dimethyl-2-pyridinyl)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(3aR,6aS)-2-(4,6-dimethylpyrimidin-2-yl)-5-[5-fluoro-2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;4-[[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]amino]-6-methylpyridine-3-carboxylic acid;2-[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]pyridine-3-carboxylic acid;(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-2-(4,5,6-trimethylpyrimidin-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is sourced from PubChem (CID 159305921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).