3-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-1-(5-chloro-2-pyridinyl)-4-hydroxybutan-2-one;3-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-1-(6-chloro-3-pyridinyl)-4-hydroxybutan-2-one;3-[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-1-(5-ethynyl-2-pyridinyl)-4-hydroxybutan-2-one;3-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-1-(6-ethynyl-3-pyridinyl)-3-hydroxybutan-2-one;3-[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-1-(6-ethynyl-3-pyridinyl)-4-hydroxybutan-2-one;5-[3-[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-4-hydroxy-2-oxobutyl]pyridine-2-carbonitrile;6-[3-[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-4-hydroxy-2-oxobutyl]pyridine-3-carbonitrile

C190H185Cl2F7N16O14 — CID 163965518

About 3-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-1-(5-chloro-2-pyridinyl)-4-hydroxybutan-2-one;3-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-1-(6-chloro-3-pyridinyl)-4-hydroxybutan-2-one;3-[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-1-(5-ethynyl-2-pyridinyl)-4-hydroxybutan-2-one;3-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-1-(6-ethynyl-3-pyridinyl)-3-hydroxybutan-2-one;3-[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-1-(6-ethynyl-3-pyridinyl)-4-hydroxybutan-2-one;5-[3-[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-4-hydroxy-2-oxobutyl]pyridine-2-carbonitrile;6-[3-[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-4-hydroxy-2-oxobutyl]pyridine-3-carbonitrile

3-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-1-(5-chloro-2-pyridinyl)-4-hydroxybutan-2-one;3-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-1-(6-chloro-3-pyridinyl)-4-hydroxybutan-2-one;3-[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-1-(5-ethynyl-2-pyridinyl)-4-hydroxybutan-2-one;3-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-1-(6-ethynyl-3-pyridinyl)-3-hydroxybutan-2-one;3-[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-1-(6-ethynyl-3-pyridinyl)-4-hydroxybutan-2-one;5-[3-[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-4-hydroxy-2-oxobutyl]pyridine-2-carbonitrile;6-[3-[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-4-hydroxy-2-oxobutyl]pyridine-3-carbonitrile (PubChem CID 163965518) has the molecular formula C190H185Cl2F7N16O14 and a molecular weight of 3120.56 g/mol. Its IUPAC name is 3-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-1-(5-chloro-2-pyridinyl)-4-hydroxybutan-2-one;3-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-1-(6-chloro-3-pyridinyl)-4-hydroxybutan-2-one;3-[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-1-(5-ethynyl-2-pyridinyl)-4-hydroxybutan-2-one;3-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-1-(6-ethynyl-3-pyridinyl)-3-hydroxybutan-2-one;3-[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-1-(6-ethynyl-3-pyridinyl)-4-hydroxybutan-2-one;5-[3-[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-4-hydroxy-2-oxobutyl]pyridine-2-carbonitrile;6-[3-[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-4-hydroxy-2-oxobutyl]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 3-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-1-(5-chloro-2-pyridinyl)-4-hydroxybutan-2-one;3-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-1-(6-chloro-3-pyridinyl)-4-hydroxybutan-2-one;3-[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-1-(5-ethynyl-2-pyridinyl)-4-hydroxybutan-2-one;3-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-1-(6-ethynyl-3-pyridinyl)-3-hydroxybutan-2-one;3-[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-1-(6-ethynyl-3-pyridinyl)-4-hydroxybutan-2-one;5-[3-[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-4-hydroxy-2-oxobutyl]pyridine-2-carbonitrile;6-[3-[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-4-hydroxy-2-oxobutyl]pyridine-3-carbonitrile
• PubChem CID: 163965518
• Molecular Formula: C190H185Cl2F7N16O14
• Molecular Weight: 3120.56 g/mol
• Exact Mass: 3117.35
• IUPAC Name: 3-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-1-(5-chloro-2-pyridinyl)-4-hydroxybutan-2-one;3-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-1-(6-chloro-3-pyridinyl)-4-hydroxybutan-2-one;3-[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-1-(5-ethynyl-2-pyridinyl)-4-hydroxybutan-2-one;3-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-1-(6-ethynyl-3-pyridinyl)-3-hydroxybutan-2-one;3-[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-1-(6-ethynyl-3-pyridinyl)-4-hydroxybutan-2-one;5-[3-[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-4-hydroxy-2-oxobutyl]pyridine-2-carbonitrile;6-[3-[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-4-hydroxy-2-oxobutyl]pyridine-3-carbonitrile
• SMILES: C#Cc1ccc(CC(=O)C(C)(O)C2C[C@H]3CC(c4ccnc5ccc(F)cc45)C[C@H]3C2)cn1.C#Cc1ccc(CC(=O)C(CO)C2C[C@H]3CC(c4ccnc5ccc(F)cc45)C[C@H]3C2)cn1.C#Cc1ccc(CC(=O)C(CO)C2C[C@H]3CC(c4ccnc5ccc(F)cc45)C[C@H]3C2)nc1.N#Cc1ccc(CC(=O)C(CO)C2C[C@H]3CC(c4ccnc5ccc(F)cc45)C[C@H]3C2)cn1.N#Cc1ccc(CC(=O)C(CO)C2C[C@H]3CC(c4ccnc5ccc(F)cc45)C[C@H]3C2)nc1.O=C(Cc1ccc(Cl)cn1)C(CO)C1C[C@H]2CC(c3ccnc4ccc(F)cc34)C[C@H]2C1.O=C(Cc1ccc(Cl)nc1)C(CO)C1C[C@H]2CC(c3ccnc4ccc(F)cc34)C[C@H]2C1
• InChI: InChI=1S/3C28H27FN2O2.2C27H26FN3O2.2C26H26ClFN2O2/c1-3-23-6-4-17(16-31-23)10-27(32)28(2,33)21-13-18-11-20(12-19(18)14-21)24-8-9-30-26-7-5-22(29)15-25(24)26;1-2-23-5-3-17(15-31-23)9-28(33)26(16-32)21-12-18-10-20(11-19(18)13-21)24-7-8-30-27-6-4-22(29)14-25(24)27;1-2-17-3-5-23(31-15-17)14-28(33)26(16-32)21-11-18-9-20(10-19(18)12-21)24-7-8-30-27-6-4-22(29)13-25(24)27;28-21-2-4-26-24(11-21)23(5-6-30-26)19-7-17-9-20(10-18(17)8-19)25(15-32)27(33)12-22-3-1-16(13-29)14-31-22;28-21-2-4-26-24(12-21)23(5-6-30-26)19-8-17-10-20(11-18(17)9-19)25(15-32)27(33)7-16-1-3-22(13-29)31-14-16;27-26-4-1-15(13-30-26)7-25(32)23(14-31)19-10-16-8-18(9-17(16)11-19)21-5-6-29-24-3-2-20(28)12-22(21)24;27-19-1-3-21(30-13-19)12-26(32)24(14-31)18-9-15-7-17(8-16(15)10-18)22-5-6-29-25-4-2-20(28)11-23(22)25/h1,4-9,15-16,18-21,33H,10-14H2,2H3;1,3-8,14-15,18-21,26,32H,9-13,16H2;1,3-8,13,15,18-21,26,32H,9-12,14,16H2;1-6,11,14,17-20,25,32H,7-10,12,15H2;1-6,12,14,17-20,25,32H,7-11,15H2;1-6,12-13,16-19,23,31H,7-11,14H2;1-6,11,13,15-18,24,31H,7-10,12,14H2/t18-,19+,20?,21?,28?;2*18-,19+,20?,21?,26?;2*17-,18+,19?,20?,25?;16-,17+,18?,19?,23?;15-,16+,17?,18?,24?
• InChIKey: SLJFEYYURJEDIO-QTWFZZBLSA-N
• XLogP: 34.10
• TPSA: 489.14 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 30
• Rotatable Bonds: 41
• Heavy Atoms: 229
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3120.56
LogP ≤ 5	34.10
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-1-(5-chloro-2-pyridinyl)-4-hydroxybutan-2-one;3-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-1-(6-chloro-3-pyridinyl)-4-hydroxybutan-2-one;3-[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-1-(5-ethynyl-2-pyridinyl)-4-hydroxybutan-2-one;3-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-1-(6-ethynyl-3-pyridinyl)-3-hydroxybutan-2-one;3-[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-1-(6-ethynyl-3-pyridinyl)-4-hydroxybutan-2-one;5-[3-[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-4-hydroxy-2-oxobutyl]pyridine-2-carbonitrile;6-[3-[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-4-hydroxy-2-oxobutyl]pyridine-3-carbonitrile?

The IUPAC name of 3-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-1-(5-chloro-2-pyridinyl)-4-hydroxybutan-2-one;3-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-1-(6-chloro-3-pyridinyl)-4-hydroxybutan-2-one;3-[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-1-(5-ethynyl-2-pyridinyl)-4-hydroxybutan-2-one;3-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-1-(6-ethynyl-3-pyridinyl)-3-hydroxybutan-2-one;3-[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-1-(6-ethynyl-3-pyridinyl)-4-hydroxybutan-2-one;5-[3-[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-4-hydroxy-2-oxobutyl]pyridine-2-carbonitrile;6-[3-[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-4-hydroxy-2-oxobutyl]pyridine-3-carbonitrile (CID 163965518) is 3-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-1-(5-chloro-2-pyridinyl)-4-hydroxybutan-2-one;3-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-1-(6-chloro-3-pyridinyl)-4-hydroxybutan-2-one;3-[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-1-(5-ethynyl-2-pyridinyl)-4-hydroxybutan-2-one;3-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-1-(6-ethynyl-3-pyridinyl)-3-hydroxybutan-2-one;3-[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-1-(6-ethynyl-3-pyridinyl)-4-hydroxybutan-2-one;5-[3-[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-4-hydroxy-2-oxobutyl]pyridine-2-carbonitrile;6-[3-[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-4-hydroxy-2-oxobutyl]pyridine-3-carbonitrile.

What is the SMILES notation for 3-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-1-(5-chloro-2-pyridinyl)-4-hydroxybutan-2-one;3-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-1-(6-chloro-3-pyridinyl)-4-hydroxybutan-2-one;3-[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-1-(5-ethynyl-2-pyridinyl)-4-hydroxybutan-2-one;3-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-1-(6-ethynyl-3-pyridinyl)-3-hydroxybutan-2-one;3-[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-1-(6-ethynyl-3-pyridinyl)-4-hydroxybutan-2-one;5-[3-[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-4-hydroxy-2-oxobutyl]pyridine-2-carbonitrile;6-[3-[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-4-hydroxy-2-oxobutyl]pyridine-3-carbonitrile?

The canonical SMILES for 3-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-1-(5-chloro-2-pyridinyl)-4-hydroxybutan-2-one;3-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-1-(6-chloro-3-pyridinyl)-4-hydroxybutan-2-one;3-[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-1-(5-ethynyl-2-pyridinyl)-4-hydroxybutan-2-one;3-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-1-(6-ethynyl-3-pyridinyl)-3-hydroxybutan-2-one;3-[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-1-(6-ethynyl-3-pyridinyl)-4-hydroxybutan-2-one;5-[3-[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-4-hydroxy-2-oxobutyl]pyridine-2-carbonitrile;6-[3-[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-4-hydroxy-2-oxobutyl]pyridine-3-carbonitrile is C#Cc1ccc(CC(=O)C(C)(O)C2C[C@H]3CC(c4ccnc5ccc(F)cc45)C[C@H]3C2)cn1.C#Cc1ccc(CC(=O)C(CO)C2C[C@H]3CC(c4ccnc5ccc(F)cc45)C[C@H]3C2)cn1.C#Cc1ccc(CC(=O)C(CO)C2C[C@H]3CC(c4ccnc5ccc(F)cc45)C[C@H]3C2)nc1.N#Cc1ccc(CC(=O)C(CO)C2C[C@H]3CC(c4ccnc5ccc(F)cc45)C[C@H]3C2)cn1.N#Cc1ccc(CC(=O)C(CO)C2C[C@H]3CC(c4ccnc5ccc(F)cc45)C[C@H]3C2)nc1.O=C(Cc1ccc(Cl)cn1)C(CO)C1C[C@H]2CC(c3ccnc4ccc(F)cc34)C[C@H]2C1.O=C(Cc1ccc(Cl)nc1)C(CO)C1C[C@H]2CC(c3ccnc4ccc(F)cc34)C[C@H]2C1.

What is the InChIKey of 3-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-1-(5-chloro-2-pyridinyl)-4-hydroxybutan-2-one;3-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-1-(6-chloro-3-pyridinyl)-4-hydroxybutan-2-one;3-[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-1-(5-ethynyl-2-pyridinyl)-4-hydroxybutan-2-one;3-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-1-(6-ethynyl-3-pyridinyl)-3-hydroxybutan-2-one;3-[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-1-(6-ethynyl-3-pyridinyl)-4-hydroxybutan-2-one;5-[3-[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-4-hydroxy-2-oxobutyl]pyridine-2-carbonitrile;6-[3-[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-4-hydroxy-2-oxobutyl]pyridine-3-carbonitrile?

The InChIKey is SLJFEYYURJEDIO-QTWFZZBLSA-N. The full InChI is InChI=1S/3C28H27FN2O2.2C27H26FN3O2.2C26H26ClFN2O2/c1-3-23-6-4-17(16-31-23)10-27(32)28(2,33)21-13-18-11-20(12-19(18)14-21)24-8-9-30-26-7-5-22(29)15-25(24)26;1-2-23-5-3-17(15-31-23)9-28(33)26(16-32)21-12-18-10-20(11-19(18)13-21)24-7-8-30-27-6-4-22(29)14-25(24)27;1-2-17-3-5-23(31-15-17)14-28(33)26(16-32)21-11-18-9-20(10-19(18)12-21)24-7-8-30-27-6-4-22(29)13-25(24)27;28-21-2-4-26-24(11-21)23(5-6-30-26)19-7-17-9-20(10-18(17)8-19)25(15-32)27(33)12-22-3-1-16(13-29)14-31-22;28-21-2-4-26-24(12-21)23(5-6-30-26)19-8-17-10-20(11-18(17)9-19)25(15-32)27(33)7-16-1-3-22(13-29)31-14-16;27-26-4-1-15(13-30-26)7-25(32)23(14-31)19-10-16-8-18(9-17(16)11-19)21-5-6-29-24-3-2-20(28)12-22(21)24;27-19-1-3-21(30-13-19)12-26(32)24(14-31)18-9-15-7-17(8-16(15)10-18)22-5-6-29-25-4-2-20(28)11-23(22)25/h1,4-9,15-16,18-21,33H,10-14H2,2H3;1,3-8,14-15,18-21,26,32H,9-13,16H2;1,3-8,13,15,18-21,26,32H,9-12,14,16H2;1-6,11,14,17-20,25,32H,7-10,12,15H2;1-6,12,14,17-20,25,32H,7-11,15H2;1-6,12-13,16-19,23,31H,7-11,14H2;1-6,11,13,15-18,24,31H,7-10,12,14H2/t18-,19+,20?,21?,28?;2*18-,19+,20?,21?,26?;2*17-,18+,19?,20?,25?;16-,17+,18?,19?,23?;15-,16+,17?,18?,24?.

What are the key properties of 3-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-1-(5-chloro-2-pyridinyl)-4-hydroxybutan-2-one;3-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-1-(6-chloro-3-pyridinyl)-4-hydroxybutan-2-one;3-[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-1-(5-ethynyl-2-pyridinyl)-4-hydroxybutan-2-one;3-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-1-(6-ethynyl-3-pyridinyl)-3-hydroxybutan-2-one;3-[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-1-(6-ethynyl-3-pyridinyl)-4-hydroxybutan-2-one;5-[3-[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-4-hydroxy-2-oxobutyl]pyridine-2-carbonitrile;6-[3-[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-4-hydroxy-2-oxobutyl]pyridine-3-carbonitrile?

3-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-1-(5-chloro-2-pyridinyl)-4-hydroxybutan-2-one;3-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-1-(6-chloro-3-pyridinyl)-4-hydroxybutan-2-one;3-[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-1-(5-ethynyl-2-pyridinyl)-4-hydroxybutan-2-one;3-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-1-(6-ethynyl-3-pyridinyl)-3-hydroxybutan-2-one;3-[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-1-(6-ethynyl-3-pyridinyl)-4-hydroxybutan-2-one;5-[3-[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-4-hydroxy-2-oxobutyl]pyridine-2-carbonitrile;6-[3-[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-4-hydroxy-2-oxobutyl]pyridine-3-carbonitrile has a molecular weight of 3120.56 g/mol, XLogP of 34.10, 41 rotatable bonds, 7 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-1-(5-chloro-2-pyridinyl)-4-hydroxybutan-2-one;3-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-1-(6-chloro-3-pyridinyl)-4-hydroxybutan-2-one;3-[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-1-(5-ethynyl-2-pyridinyl)-4-hydroxybutan-2-one;3-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-1-(6-ethynyl-3-pyridinyl)-3-hydroxybutan-2-one;3-[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-1-(6-ethynyl-3-pyridinyl)-4-hydroxybutan-2-one;5-[3-[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-4-hydroxy-2-oxobutyl]pyridine-2-carbonitrile;6-[3-[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-4-hydroxy-2-oxobutyl]pyridine-3-carbonitrile is sourced from PubChem (CID 163965518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).