N-[[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-4-chlorobenzamide;N-[[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-5-chloropyridine-2-carboxamide;N-[[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-6-chloropyridine-3-carboxamide;N-[[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-4-cyanobenzamide;N-[[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-6-cyanopyridine-3-carboxamide;N-[[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-4-ethynylbenzamide;N-[[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-5-ethynylpyridine-2-carboxamide;N-[[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-6-ethynylpyridine-3-carboxamide

C203H190Cl3F8N23O8 — CID 159703598

About N-[[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-4-chlorobenzamide;N-[[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-5-chloropyridine-2-carboxamide;N-[[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-6-chloropyridine-3-carboxamide;N-[[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-4-cyanobenzamide;N-[[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-6-cyanopyridine-3-carboxamide;N-[[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-4-ethynylbenzamide;N-[[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-5-ethynylpyridine-2-carboxamide;N-[[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-6-ethynylpyridine-3-carboxamide

N-[[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-4-chlorobenzamide;N-[[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-5-chloropyridine-2-carboxamide;N-[[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-6-chloropyridine-3-carboxamide;N-[[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-4-cyanobenzamide;N-[[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-6-cyanopyridine-3-carboxamide;N-[[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-4-ethynylbenzamide;N-[[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-5-ethynylpyridine-2-carboxamide;N-[[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-6-ethynylpyridine-3-carboxamide (PubChem CID 159703598) has the molecular formula C203H190Cl3F8N23O8 and a molecular weight of 3338.25 g/mol. Its IUPAC name is N-[[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-4-chlorobenzamide;N-[[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-5-chloropyridine-2-carboxamide;N-[[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-6-chloropyridine-3-carboxamide;N-[[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-4-cyanobenzamide;N-[[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-6-cyanopyridine-3-carboxamide;N-[[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-4-ethynylbenzamide;N-[[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-5-ethynylpyridine-2-carboxamide;N-[[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-6-ethynylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-4-chlorobenzamide;N-[[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-5-chloropyridine-2-carboxamide;N-[[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-6-chloropyridine-3-carboxamide;N-[[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-4-cyanobenzamide;N-[[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-6-cyanopyridine-3-carboxamide;N-[[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-4-ethynylbenzamide;N-[[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-5-ethynylpyridine-2-carboxamide;N-[[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-6-ethynylpyridine-3-carboxamide
• PubChem CID: 159703598
• Molecular Formula: C203H190Cl3F8N23O8
• Molecular Weight: 3338.25 g/mol
• Exact Mass: 3334.41
• IUPAC Name: N-[[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-4-chlorobenzamide;N-[[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-5-chloropyridine-2-carboxamide;N-[[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-6-chloropyridine-3-carboxamide;N-[[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-4-cyanobenzamide;N-[[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-6-cyanopyridine-3-carboxamide;N-[[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-4-ethynylbenzamide;N-[[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-5-ethynylpyridine-2-carboxamide;N-[[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-6-ethynylpyridine-3-carboxamide
• SMILES: C#Cc1ccc(C(=O)NCC2C[C@@H]3CC(c4ccnc5ccc(F)cc45)C[C@@H]3C2)cc1.C#Cc1ccc(C(=O)NCC2C[C@@H]3CC(c4ccnc5ccc(F)cc45)C[C@@H]3C2)cn1.C#Cc1ccc(C(=O)NCC2C[C@@H]3CC(c4ccnc5ccc(F)cc45)C[C@@H]3C2)nc1.N#Cc1ccc(C(=O)NCC2C[C@@H]3CC(c4ccnc5ccc(F)cc45)C[C@@H]3C2)cc1.N#Cc1ccc(C(=O)NCC2C[C@@H]3CC(c4ccnc5ccc(F)cc45)C[C@@H]3C2)cn1.O=C(NCC1C[C@@H]2CC(c3ccnc4ccc(F)cc34)C[C@@H]2C1)c1ccc(Cl)cc1.O=C(NCC1C[C@@H]2CC(c3ccnc4ccc(F)cc34)C[C@@H]2C1)c1ccc(Cl)cn1.O=C(NCC1C[C@@H]2CC(c3ccnc4ccc(F)cc34)C[C@@H]2C1)c1ccc(Cl)nc1
• InChI: InChI=1S/C27H25FN2O.3C26H24FN3O.C25H24ClFN2O.C25H23FN4O.2C24H23ClFN3O/c1-2-17-3-5-19(6-4-17)27(31)30-16-18-11-20-13-22(14-21(20)12-18)24-9-10-29-26-8-7-23(28)15-25(24)26;27-22-5-6-25-24(13-22)23(7-8-29-25)21-11-19-9-17(10-20(19)12-21)15-30-26(31)18-3-1-16(14-28)2-4-18;1-2-22-5-3-17(15-29-22)26(31)30-14-16-9-18-11-20(12-19(18)10-16)23-7-8-28-25-6-4-21(27)13-24(23)25;1-2-16-3-5-25(29-14-16)26(31)30-15-17-9-18-11-20(12-19(18)10-17)22-7-8-28-24-6-4-21(27)13-23(22)24;26-20-3-1-16(2-4-20)25(30)29-14-15-9-17-11-19(12-18(17)10-15)22-7-8-28-24-6-5-21(27)13-23(22)24;26-20-2-4-24-23(11-20)22(5-6-28-24)19-9-17-7-15(8-18(17)10-19)13-30-25(31)16-1-3-21(12-27)29-14-16;25-23-4-1-15(13-28-23)24(30)29-12-14-7-16-9-18(10-17(16)8-14)20-5-6-27-22-3-2-19(26)11-21(20)22;25-18-1-3-23(28-13-18)24(30)29-12-14-7-15-9-17(10-16(15)8-14)20-5-6-27-22-4-2-19(26)11-21(20)22/h1,3-10,15,18,20-22H,11-14,16H2,(H,30,31);1-8,13,17,19-21H,9-12,15H2,(H,30,31);1,3-8,13,15-16,18-20H,9-12,14H2,(H,30,31);1,3-8,13-14,17-20H,9-12,15H2,(H,30,31);1-8,13,15,17-19H,9-12,14H2,(H,29,30);1-6,11,14-15,17-19H,7-10,13H2,(H,30,31);1-6,11,13-14,16-18H,7-10,12H2,(H,29,30);1-6,11,13-17H,7-10,12H2,(H,29,30)/t18?,20-,21+,22?;17?,19-,20+,21?;16?,18-,19+,20?;17?,18-,19+,20?;2*15?,17-,18+,19?;14?,16-,17+,18?;14?,15-,16+,17?
• InChIKey: MXXVCHLKCQHYID-YTGBOLICSA-N
• XLogP: 41.21
• TPSA: 447.95 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 23
• Rotatable Bonds: 32
• Heavy Atoms: 245
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3338.25
LogP ≤ 5	41.21
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	23

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 N-[[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-4-chlorobenzamide;N-[[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-5-chloropyridine-2-carboxamide;N-[[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-6-chloropyridine-3-carboxamide;N-[[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-4-cyanobenzamide;N-[[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-6-cyanopyridine-3-carboxamide;N-[[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-4-ethynylbenzamide;N-[[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-5-ethynylpyridine-2-carboxamide;N-[[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-6-ethynylpyridine-3-carboxamide?

The IUPAC name of N-[[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-4-chlorobenzamide;N-[[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-5-chloropyridine-2-carboxamide;N-[[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-6-chloropyridine-3-carboxamide;N-[[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-4-cyanobenzamide;N-[[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-6-cyanopyridine-3-carboxamide;N-[[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-4-ethynylbenzamide;N-[[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-5-ethynylpyridine-2-carboxamide;N-[[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-6-ethynylpyridine-3-carboxamide (CID 159703598) is N-[[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-4-chlorobenzamide;N-[[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-5-chloropyridine-2-carboxamide;N-[[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-6-chloropyridine-3-carboxamide;N-[[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-4-cyanobenzamide;N-[[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-6-cyanopyridine-3-carboxamide;N-[[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-4-ethynylbenzamide;N-[[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-5-ethynylpyridine-2-carboxamide;N-[[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-6-ethynylpyridine-3-carboxamide.

What is the SMILES notation for N-[[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-4-chlorobenzamide;N-[[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-5-chloropyridine-2-carboxamide;N-[[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-6-chloropyridine-3-carboxamide;N-[[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-4-cyanobenzamide;N-[[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-6-cyanopyridine-3-carboxamide;N-[[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-4-ethynylbenzamide;N-[[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-5-ethynylpyridine-2-carboxamide;N-[[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-6-ethynylpyridine-3-carboxamide?

The canonical SMILES for N-[[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-4-chlorobenzamide;N-[[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-5-chloropyridine-2-carboxamide;N-[[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-6-chloropyridine-3-carboxamide;N-[[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-4-cyanobenzamide;N-[[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-6-cyanopyridine-3-carboxamide;N-[[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-4-ethynylbenzamide;N-[[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-5-ethynylpyridine-2-carboxamide;N-[[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-6-ethynylpyridine-3-carboxamide is C#Cc1ccc(C(=O)NCC2C[C@@H]3CC(c4ccnc5ccc(F)cc45)C[C@@H]3C2)cc1.C#Cc1ccc(C(=O)NCC2C[C@@H]3CC(c4ccnc5ccc(F)cc45)C[C@@H]3C2)cn1.C#Cc1ccc(C(=O)NCC2C[C@@H]3CC(c4ccnc5ccc(F)cc45)C[C@@H]3C2)nc1.N#Cc1ccc(C(=O)NCC2C[C@@H]3CC(c4ccnc5ccc(F)cc45)C[C@@H]3C2)cc1.N#Cc1ccc(C(=O)NCC2C[C@@H]3CC(c4ccnc5ccc(F)cc45)C[C@@H]3C2)cn1.O=C(NCC1C[C@@H]2CC(c3ccnc4ccc(F)cc34)C[C@@H]2C1)c1ccc(Cl)cc1.O=C(NCC1C[C@@H]2CC(c3ccnc4ccc(F)cc34)C[C@@H]2C1)c1ccc(Cl)cn1.O=C(NCC1C[C@@H]2CC(c3ccnc4ccc(F)cc34)C[C@@H]2C1)c1ccc(Cl)nc1.

What is the InChIKey of N-[[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-4-chlorobenzamide;N-[[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-5-chloropyridine-2-carboxamide;N-[[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-6-chloropyridine-3-carboxamide;N-[[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-4-cyanobenzamide;N-[[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-6-cyanopyridine-3-carboxamide;N-[[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-4-ethynylbenzamide;N-[[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-5-ethynylpyridine-2-carboxamide;N-[[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-6-ethynylpyridine-3-carboxamide?

The InChIKey is MXXVCHLKCQHYID-YTGBOLICSA-N. The full InChI is InChI=1S/C27H25FN2O.3C26H24FN3O.C25H24ClFN2O.C25H23FN4O.2C24H23ClFN3O/c1-2-17-3-5-19(6-4-17)27(31)30-16-18-11-20-13-22(14-21(20)12-18)24-9-10-29-26-8-7-23(28)15-25(24)26;27-22-5-6-25-24(13-22)23(7-8-29-25)21-11-19-9-17(10-20(19)12-21)15-30-26(31)18-3-1-16(14-28)2-4-18;1-2-22-5-3-17(15-29-22)26(31)30-14-16-9-18-11-20(12-19(18)10-16)23-7-8-28-25-6-4-21(27)13-24(23)25;1-2-16-3-5-25(29-14-16)26(31)30-15-17-9-18-11-20(12-19(18)10-17)22-7-8-28-24-6-4-21(27)13-23(22)24;26-20-3-1-16(2-4-20)25(30)29-14-15-9-17-11-19(12-18(17)10-15)22-7-8-28-24-6-5-21(27)13-23(22)24;26-20-2-4-24-23(11-20)22(5-6-28-24)19-9-17-7-15(8-18(17)10-19)13-30-25(31)16-1-3-21(12-27)29-14-16;25-23-4-1-15(13-28-23)24(30)29-12-14-7-16-9-18(10-17(16)8-14)20-5-6-27-22-3-2-19(26)11-21(20)22;25-18-1-3-23(28-13-18)24(30)29-12-14-7-15-9-17(10-16(15)8-14)20-5-6-27-22-4-2-19(26)11-21(20)22/h1,3-10,15,18,20-22H,11-14,16H2,(H,30,31);1-8,13,17,19-21H,9-12,15H2,(H,30,31);1,3-8,13,15-16,18-20H,9-12,14H2,(H,30,31);1,3-8,13-14,17-20H,9-12,15H2,(H,30,31);1-8,13,15,17-19H,9-12,14H2,(H,29,30);1-6,11,14-15,17-19H,7-10,13H2,(H,30,31);1-6,11,13-14,16-18H,7-10,12H2,(H,29,30);1-6,11,13-17H,7-10,12H2,(H,29,30)/t18?,20-,21+,22?;17?,19-,20+,21?;16?,18-,19+,20?;17?,18-,19+,20?;2*15?,17-,18+,19?;14?,16-,17+,18?;14?,15-,16+,17?.

What are the key properties of N-[[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-4-chlorobenzamide;N-[[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-5-chloropyridine-2-carboxamide;N-[[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-6-chloropyridine-3-carboxamide;N-[[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-4-cyanobenzamide;N-[[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-6-cyanopyridine-3-carboxamide;N-[[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-4-ethynylbenzamide;N-[[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-5-ethynylpyridine-2-carboxamide;N-[[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-6-ethynylpyridine-3-carboxamide?

N-[[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-4-chlorobenzamide;N-[[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-5-chloropyridine-2-carboxamide;N-[[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-6-chloropyridine-3-carboxamide;N-[[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-4-cyanobenzamide;N-[[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-6-cyanopyridine-3-carboxamide;N-[[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-4-ethynylbenzamide;N-[[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-5-ethynylpyridine-2-carboxamide;N-[[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-6-ethynylpyridine-3-carboxamide has a molecular weight of 3338.25 g/mol, XLogP of 41.21, 32 rotatable bonds, 8 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-4-chlorobenzamide;N-[[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-5-chloropyridine-2-carboxamide;N-[[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-6-chloropyridine-3-carboxamide;N-[[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-4-cyanobenzamide;N-[[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-6-cyanopyridine-3-carboxamide;N-[[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-4-ethynylbenzamide;N-[[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-5-ethynylpyridine-2-carboxamide;N-[[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-6-ethynylpyridine-3-carboxamide is sourced from PubChem (CID 159703598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).