6-[3-[(3aR,6aS)-2-fluoro-5-(6-fluoroquinolin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]-2-oxopropyl]pyridine-3-carbonitrile;1-[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-2-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]-3-(5-chloro-2-pyridinyl)propan-2-one;1-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-2-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]-3-(6-chloro-3-pyridinyl)propan-2-one;1-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-2-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]-3-(5-ethynyl-2-pyridinyl)propan-2-one;1-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-2-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]-3-(6-ethynyl-3-pyridinyl)propan-2-one;5-[3-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-2-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]-2-oxopropyl]pyridine-2-carbonitrile;6-[3-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-2-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]-2-oxopropyl]pyridine-3-carbonitrile

C182H169Cl2F8N17O13 — CID 163692930

About 6-[3-[(3aR,6aS)-2-fluoro-5-(6-fluoroquinolin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]-2-oxopropyl]pyridine-3-carbonitrile;1-[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-2-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]-3-(5-chloro-2-pyridinyl)propan-2-one;1-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-2-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]-3-(6-chloro-3-pyridinyl)propan-2-one;1-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-2-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]-3-(5-ethynyl-2-pyridinyl)propan-2-one;1-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-2-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]-3-(6-ethynyl-3-pyridinyl)propan-2-one;5-[3-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-2-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]-2-oxopropyl]pyridine-2-carbonitrile;6-[3-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-2-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]-2-oxopropyl]pyridine-3-carbonitrile

6-[3-[(3aR,6aS)-2-fluoro-5-(6-fluoroquinolin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]-2-oxopropyl]pyridine-3-carbonitrile;1-[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-2-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]-3-(5-chloro-2-pyridinyl)propan-2-one;1-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-2-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]-3-(6-chloro-3-pyridinyl)propan-2-one;1-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-2-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]-3-(5-ethynyl-2-pyridinyl)propan-2-one;1-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-2-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]-3-(6-ethynyl-3-pyridinyl)propan-2-one;5-[3-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-2-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]-2-oxopropyl]pyridine-2-carbonitrile;6-[3-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-2-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]-2-oxopropyl]pyridine-3-carbonitrile (PubChem CID 163692930) has the molecular formula C182H169Cl2F8N17O13 and a molecular weight of 3025.35 g/mol. Its IUPAC name is 6-[3-[(3aR,6aS)-2-fluoro-5-(6-fluoroquinolin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]-2-oxopropyl]pyridine-3-carbonitrile;1-[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-2-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]-3-(5-chloro-2-pyridinyl)propan-2-one;1-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-2-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]-3-(6-chloro-3-pyridinyl)propan-2-one;1-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-2-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]-3-(5-ethynyl-2-pyridinyl)propan-2-one;1-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-2-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]-3-(6-ethynyl-3-pyridinyl)propan-2-one;5-[3-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-2-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]-2-oxopropyl]pyridine-2-carbonitrile;6-[3-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-2-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]-2-oxopropyl]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-[3-[(3aR,6aS)-2-fluoro-5-(6-fluoroquinolin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]-2-oxopropyl]pyridine-3-carbonitrile;1-[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-2-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]-3-(5-chloro-2-pyridinyl)propan-2-one;1-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-2-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]-3-(6-chloro-3-pyridinyl)propan-2-one;1-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-2-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]-3-(5-ethynyl-2-pyridinyl)propan-2-one;1-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-2-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]-3-(6-ethynyl-3-pyridinyl)propan-2-one;5-[3-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-2-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]-2-oxopropyl]pyridine-2-carbonitrile;6-[3-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-2-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]-2-oxopropyl]pyridine-3-carbonitrile
• PubChem CID: 163692930
• Molecular Formula: C182H169Cl2F8N17O13
• Molecular Weight: 3025.35 g/mol
• Exact Mass: 3022.23
• IUPAC Name: 6-[3-[(3aR,6aS)-2-fluoro-5-(6-fluoroquinolin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]-2-oxopropyl]pyridine-3-carbonitrile;1-[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-2-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]-3-(5-chloro-2-pyridinyl)propan-2-one;1-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-2-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]-3-(6-chloro-3-pyridinyl)propan-2-one;1-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-2-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]-3-(5-ethynyl-2-pyridinyl)propan-2-one;1-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-2-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]-3-(6-ethynyl-3-pyridinyl)propan-2-one;5-[3-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-2-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]-2-oxopropyl]pyridine-2-carbonitrile;6-[3-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-2-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]-2-oxopropyl]pyridine-3-carbonitrile
• SMILES: C#Cc1ccc(CC(=O)CC2(O)C[C@H]3CC(c4ccnc5ccc(F)cc45)C[C@H]3C2)cn1.C#Cc1ccc(CC(=O)CC2(O)C[C@H]3CC(c4ccnc5ccc(F)cc45)C[C@H]3C2)nc1.N#Cc1ccc(CC(=O)CC2(F)C[C@H]3CC(c4ccnc5ccc(F)cc45)C[C@H]3C2)nc1.N#Cc1ccc(CC(=O)CC2(O)C[C@H]3CC(c4ccnc5ccc(F)cc45)C[C@H]3C2)cn1.N#Cc1ccc(CC(=O)CC2(O)C[C@H]3CC(c4ccnc5ccc(F)cc45)C[C@H]3C2)nc1.O=C(Cc1ccc(Cl)cn1)CC1(O)C[C@H]2CC(c3ccnc4ccc(F)cc34)C[C@H]2C1.O=C(Cc1ccc(Cl)nc1)CC1(O)C[C@H]2CC(c3ccnc4ccc(F)cc34)C[C@H]2C1
• InChI: InChI=1S/2C27H25FN2O2.C26H23F2N3O.2C26H24FN3O2.2C25H24ClFN2O2/c1-2-22-5-3-17(16-30-22)9-23(31)15-27(32)13-19-10-18(11-20(19)14-27)24-7-8-29-26-6-4-21(28)12-25(24)26;1-2-17-3-5-22(30-16-17)12-23(31)15-27(32)13-19-9-18(10-20(19)14-27)24-7-8-29-26-6-4-21(28)11-25(24)26;27-20-2-4-25-24(9-20)23(5-6-30-25)17-7-18-11-26(28,12-19(18)8-17)13-22(32)10-21-3-1-16(14-29)15-31-21;27-20-2-4-25-24(9-20)23(5-6-29-25)17-7-18-11-26(32,12-19(18)8-17)13-22(31)10-21-3-1-16(14-28)15-30-21;27-20-2-4-25-24(10-20)23(5-6-29-25)17-8-18-11-26(32,12-19(18)9-17)13-22(31)7-16-1-3-21(14-28)30-15-16;26-24-4-1-15(14-29-24)7-20(30)13-25(31)11-17-8-16(9-18(17)12-25)21-5-6-28-23-3-2-19(27)10-22(21)23;26-18-1-3-20(29-14-18)10-21(30)13-25(31)11-16-7-15(8-17(16)12-25)22-5-6-28-24-4-2-19(27)9-23(22)24/h1,3-8,12,16,18-20,32H,9-11,13-15H2;1,3-8,11,16,18-20,32H,9-10,12-15H2;1-6,9,15,17-19H,7-8,10-13H2;1-6,9,15,17-19,32H,7-8,10-13H2;1-6,10,15,17-19,32H,7-9,11-13H2;1-6,10,14,16-18,31H,7-9,11-13H2;1-6,9,14-17,31H,7-8,10-13H2/t2*18?,19-,20+,27?;3*17?,18-,19+,26?;16?,17-,18+,25?;15?,16-,17+,25?
• InChIKey: JUMLZEFSMVZSJP-ULZUBHNESA-N
• XLogP: 34.10
• TPSA: 492.70 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 30
• Rotatable Bonds: 35
• Heavy Atoms: 222
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3025.35
LogP ≤ 5	34.10
H-Bond Donors ≤ 5	6
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 6-[3-[(3aR,6aS)-2-fluoro-5-(6-fluoroquinolin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]-2-oxopropyl]pyridine-3-carbonitrile;1-[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-2-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]-3-(5-chloro-2-pyridinyl)propan-2-one;1-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-2-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]-3-(6-chloro-3-pyridinyl)propan-2-one;1-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-2-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]-3-(5-ethynyl-2-pyridinyl)propan-2-one;1-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-2-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]-3-(6-ethynyl-3-pyridinyl)propan-2-one;5-[3-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-2-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]-2-oxopropyl]pyridine-2-carbonitrile;6-[3-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-2-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]-2-oxopropyl]pyridine-3-carbonitrile?

The IUPAC name of 6-[3-[(3aR,6aS)-2-fluoro-5-(6-fluoroquinolin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]-2-oxopropyl]pyridine-3-carbonitrile;1-[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-2-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]-3-(5-chloro-2-pyridinyl)propan-2-one;1-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-2-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]-3-(6-chloro-3-pyridinyl)propan-2-one;1-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-2-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]-3-(5-ethynyl-2-pyridinyl)propan-2-one;1-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-2-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]-3-(6-ethynyl-3-pyridinyl)propan-2-one;5-[3-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-2-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]-2-oxopropyl]pyridine-2-carbonitrile;6-[3-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-2-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]-2-oxopropyl]pyridine-3-carbonitrile (CID 163692930) is 6-[3-[(3aR,6aS)-2-fluoro-5-(6-fluoroquinolin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]-2-oxopropyl]pyridine-3-carbonitrile;1-[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-2-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]-3-(5-chloro-2-pyridinyl)propan-2-one;1-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-2-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]-3-(6-chloro-3-pyridinyl)propan-2-one;1-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-2-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]-3-(5-ethynyl-2-pyridinyl)propan-2-one;1-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-2-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]-3-(6-ethynyl-3-pyridinyl)propan-2-one;5-[3-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-2-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]-2-oxopropyl]pyridine-2-carbonitrile;6-[3-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-2-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]-2-oxopropyl]pyridine-3-carbonitrile.

What is the SMILES notation for 6-[3-[(3aR,6aS)-2-fluoro-5-(6-fluoroquinolin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]-2-oxopropyl]pyridine-3-carbonitrile;1-[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-2-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]-3-(5-chloro-2-pyridinyl)propan-2-one;1-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-2-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]-3-(6-chloro-3-pyridinyl)propan-2-one;1-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-2-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]-3-(5-ethynyl-2-pyridinyl)propan-2-one;1-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-2-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]-3-(6-ethynyl-3-pyridinyl)propan-2-one;5-[3-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-2-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]-2-oxopropyl]pyridine-2-carbonitrile;6-[3-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-2-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]-2-oxopropyl]pyridine-3-carbonitrile?

The canonical SMILES for 6-[3-[(3aR,6aS)-2-fluoro-5-(6-fluoroquinolin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]-2-oxopropyl]pyridine-3-carbonitrile;1-[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-2-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]-3-(5-chloro-2-pyridinyl)propan-2-one;1-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-2-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]-3-(6-chloro-3-pyridinyl)propan-2-one;1-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-2-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]-3-(5-ethynyl-2-pyridinyl)propan-2-one;1-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-2-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]-3-(6-ethynyl-3-pyridinyl)propan-2-one;5-[3-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-2-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]-2-oxopropyl]pyridine-2-carbonitrile;6-[3-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-2-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]-2-oxopropyl]pyridine-3-carbonitrile is C#Cc1ccc(CC(=O)CC2(O)C[C@H]3CC(c4ccnc5ccc(F)cc45)C[C@H]3C2)cn1.C#Cc1ccc(CC(=O)CC2(O)C[C@H]3CC(c4ccnc5ccc(F)cc45)C[C@H]3C2)nc1.N#Cc1ccc(CC(=O)CC2(F)C[C@H]3CC(c4ccnc5ccc(F)cc45)C[C@H]3C2)nc1.N#Cc1ccc(CC(=O)CC2(O)C[C@H]3CC(c4ccnc5ccc(F)cc45)C[C@H]3C2)cn1.N#Cc1ccc(CC(=O)CC2(O)C[C@H]3CC(c4ccnc5ccc(F)cc45)C[C@H]3C2)nc1.O=C(Cc1ccc(Cl)cn1)CC1(O)C[C@H]2CC(c3ccnc4ccc(F)cc34)C[C@H]2C1.O=C(Cc1ccc(Cl)nc1)CC1(O)C[C@H]2CC(c3ccnc4ccc(F)cc34)C[C@H]2C1.

What is the InChIKey of 6-[3-[(3aR,6aS)-2-fluoro-5-(6-fluoroquinolin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]-2-oxopropyl]pyridine-3-carbonitrile;1-[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-2-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]-3-(5-chloro-2-pyridinyl)propan-2-one;1-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-2-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]-3-(6-chloro-3-pyridinyl)propan-2-one;1-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-2-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]-3-(5-ethynyl-2-pyridinyl)propan-2-one;1-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-2-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]-3-(6-ethynyl-3-pyridinyl)propan-2-one;5-[3-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-2-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]-2-oxopropyl]pyridine-2-carbonitrile;6-[3-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-2-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]-2-oxopropyl]pyridine-3-carbonitrile?

The InChIKey is JUMLZEFSMVZSJP-ULZUBHNESA-N. The full InChI is InChI=1S/2C27H25FN2O2.C26H23F2N3O.2C26H24FN3O2.2C25H24ClFN2O2/c1-2-22-5-3-17(16-30-22)9-23(31)15-27(32)13-19-10-18(11-20(19)14-27)24-7-8-29-26-6-4-21(28)12-25(24)26;1-2-17-3-5-22(30-16-17)12-23(31)15-27(32)13-19-9-18(10-20(19)14-27)24-7-8-29-26-6-4-21(28)11-25(24)26;27-20-2-4-25-24(9-20)23(5-6-30-25)17-7-18-11-26(28,12-19(18)8-17)13-22(32)10-21-3-1-16(14-29)15-31-21;27-20-2-4-25-24(9-20)23(5-6-29-25)17-7-18-11-26(32,12-19(18)8-17)13-22(31)10-21-3-1-16(14-28)15-30-21;27-20-2-4-25-24(10-20)23(5-6-29-25)17-8-18-11-26(32,12-19(18)9-17)13-22(31)7-16-1-3-21(14-28)30-15-16;26-24-4-1-15(14-29-24)7-20(30)13-25(31)11-17-8-16(9-18(17)12-25)21-5-6-28-23-3-2-19(27)10-22(21)23;26-18-1-3-20(29-14-18)10-21(30)13-25(31)11-16-7-15(8-17(16)12-25)22-5-6-28-24-4-2-19(27)9-23(22)24/h1,3-8,12,16,18-20,32H,9-11,13-15H2;1,3-8,11,16,18-20,32H,9-10,12-15H2;1-6,9,15,17-19H,7-8,10-13H2;1-6,9,15,17-19,32H,7-8,10-13H2;1-6,10,15,17-19,32H,7-9,11-13H2;1-6,10,14,16-18,31H,7-9,11-13H2;1-6,9,14-17,31H,7-8,10-13H2/t2*18?,19-,20+,27?;3*17?,18-,19+,26?;16?,17-,18+,25?;15?,16-,17+,25?.

What are the key properties of 6-[3-[(3aR,6aS)-2-fluoro-5-(6-fluoroquinolin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]-2-oxopropyl]pyridine-3-carbonitrile;1-[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-2-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]-3-(5-chloro-2-pyridinyl)propan-2-one;1-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-2-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]-3-(6-chloro-3-pyridinyl)propan-2-one;1-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-2-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]-3-(5-ethynyl-2-pyridinyl)propan-2-one;1-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-2-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]-3-(6-ethynyl-3-pyridinyl)propan-2-one;5-[3-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-2-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]-2-oxopropyl]pyridine-2-carbonitrile;6-[3-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-2-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]-2-oxopropyl]pyridine-3-carbonitrile?

6-[3-[(3aR,6aS)-2-fluoro-5-(6-fluoroquinolin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]-2-oxopropyl]pyridine-3-carbonitrile;1-[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-2-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]-3-(5-chloro-2-pyridinyl)propan-2-one;1-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-2-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]-3-(6-chloro-3-pyridinyl)propan-2-one;1-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-2-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]-3-(5-ethynyl-2-pyridinyl)propan-2-one;1-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-2-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]-3-(6-ethynyl-3-pyridinyl)propan-2-one;5-[3-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-2-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]-2-oxopropyl]pyridine-2-carbonitrile;6-[3-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-2-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]-2-oxopropyl]pyridine-3-carbonitrile has a molecular weight of 3025.35 g/mol, XLogP of 34.10, 35 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-[(3aR,6aS)-2-fluoro-5-(6-fluoroquinolin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]-2-oxopropyl]pyridine-3-carbonitrile;1-[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-2-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]-3-(5-chloro-2-pyridinyl)propan-2-one;1-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-2-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]-3-(6-chloro-3-pyridinyl)propan-2-one;1-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-2-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]-3-(5-ethynyl-2-pyridinyl)propan-2-one;1-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-2-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]-3-(6-ethynyl-3-pyridinyl)propan-2-one;5-[3-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-2-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]-2-oxopropyl]pyridine-2-carbonitrile;6-[3-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-2-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]-2-oxopropyl]pyridine-3-carbonitrile is sourced from PubChem (CID 163692930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).