(5aS,6S,9aR)-3-(2-fluorophenyl)-8-isocyano-2,6,9a-trimethyl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-2,6,6,9a-tetramethyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-2,6,6,9a-tetramethyl-3-(1-methyl-1,2,4-triazol-3-yl)-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aS,6S,9aR)-8-isocyano-2,6,9a-trimethyl-3-(2-methyltetrazol-5-yl)-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aS,6S,9aR)-8-isocyano-2,6,9a-trimethyl-3-phenyl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aS,6S,9aR)-8-isocyano-2,6,9a-trimethyl-3-pyridin-3-yl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-3-methoxy-2,6,6,9a-tetramethyl-5,5a-dihydro-4H-benzo[g]indazol-7-one

C134H144FN31O9 — CID 167586800

About (5aS,6S,9aR)-3-(2-fluorophenyl)-8-isocyano-2,6,9a-trimethyl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-2,6,6,9a-tetramethyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-2,6,6,9a-tetramethyl-3-(1-methyl-1,2,4-triazol-3-yl)-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aS,6S,9aR)-8-isocyano-2,6,9a-trimethyl-3-(2-methyltetrazol-5-yl)-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aS,6S,9aR)-8-isocyano-2,6,9a-trimethyl-3-phenyl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aS,6S,9aR)-8-isocyano-2,6,9a-trimethyl-3-pyridin-3-yl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-3-methoxy-2,6,6,9a-tetramethyl-5,5a-dihydro-4H-benzo[g]indazol-7-one

(5aS,6S,9aR)-3-(2-fluorophenyl)-8-isocyano-2,6,9a-trimethyl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-2,6,6,9a-tetramethyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-2,6,6,9a-tetramethyl-3-(1-methyl-1,2,4-triazol-3-yl)-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aS,6S,9aR)-8-isocyano-2,6,9a-trimethyl-3-(2-methyltetrazol-5-yl)-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aS,6S,9aR)-8-isocyano-2,6,9a-trimethyl-3-phenyl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aS,6S,9aR)-8-isocyano-2,6,9a-trimethyl-3-pyridin-3-yl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-3-methoxy-2,6,6,9a-tetramethyl-5,5a-dihydro-4H-benzo[g]indazol-7-one (PubChem CID 167586800) has the molecular formula C134H144FN31O9 and a molecular weight of 2351.83 g/mol. Its IUPAC name is (5aS,6S,9aR)-3-(2-fluorophenyl)-8-isocyano-2,6,9a-trimethyl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-2,6,6,9a-tetramethyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-2,6,6,9a-tetramethyl-3-(1-methyl-1,2,4-triazol-3-yl)-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aS,6S,9aR)-8-isocyano-2,6,9a-trimethyl-3-(2-methyltetrazol-5-yl)-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aS,6S,9aR)-8-isocyano-2,6,9a-trimethyl-3-phenyl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aS,6S,9aR)-8-isocyano-2,6,9a-trimethyl-3-pyridin-3-yl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-3-methoxy-2,6,6,9a-tetramethyl-5,5a-dihydro-4H-benzo[g]indazol-7-one.

Molecular Properties

• Compound Name: (5aS,6S,9aR)-3-(2-fluorophenyl)-8-isocyano-2,6,9a-trimethyl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-2,6,6,9a-tetramethyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-2,6,6,9a-tetramethyl-3-(1-methyl-1,2,4-triazol-3-yl)-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aS,6S,9aR)-8-isocyano-2,6,9a-trimethyl-3-(2-methyltetrazol-5-yl)-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aS,6S,9aR)-8-isocyano-2,6,9a-trimethyl-3-phenyl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aS,6S,9aR)-8-isocyano-2,6,9a-trimethyl-3-pyridin-3-yl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-3-methoxy-2,6,6,9a-tetramethyl-5,5a-dihydro-4H-benzo[g]indazol-7-one
• PubChem CID: 167586800
• Molecular Formula: C134H144FN31O9
• Molecular Weight: 2351.83 g/mol
• Exact Mass: 2350.17
• IUPAC Name: (5aS,6S,9aR)-3-(2-fluorophenyl)-8-isocyano-2,6,9a-trimethyl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-2,6,6,9a-tetramethyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-2,6,6,9a-tetramethyl-3-(1-methyl-1,2,4-triazol-3-yl)-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aS,6S,9aR)-8-isocyano-2,6,9a-trimethyl-3-(2-methyltetrazol-5-yl)-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aS,6S,9aR)-8-isocyano-2,6,9a-trimethyl-3-phenyl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aS,6S,9aR)-8-isocyano-2,6,9a-trimethyl-3-pyridin-3-yl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-3-methoxy-2,6,6,9a-tetramethyl-5,5a-dihydro-4H-benzo[g]indazol-7-one
• SMILES: [C-]#[N+]C1=C[C@]2(C)c3nn(C)c(-c4ccccc4)c3CC[C@H]2[C@H](C)C1=O.[C-]#[N+]C1=C[C@]2(C)c3nn(C)c(-c4ccccc4F)c3CC[C@H]2[C@H](C)C1=O.[C-]#[N+]C1=C[C@]2(C)c3nn(C)c(-c4cccnc4)c3CC[C@H]2[C@H](C)C1=O.[C-]#[N+]C1=C[C@]2(C)c3nn(C)c(-c4ncn(C)n4)c3CC[C@H]2C(C)(C)C1=O.[C-]#[N+]C1=C[C@]2(C)c3nn(C)c(-c4nnn(C)n4)c3CC[C@H]2[C@H](C)C1=O.[C-]#[N+]C1=C[C@]2(C)c3nn(C)c(-c4noc(C)n4)c3CC[C@H]2C(C)(C)C1=O.[C-]#[N+]C1=C[C@]2(C)c3nn(C)c(OC)c3CC[C@H]2C(C)(C)C1=O
• InChI: InChI=1S/C21H20FN3O.C21H21N3O.C20H20N4O.C19H22N6O.C19H21N5O2.C17H19N7O.C17H21N3O2/c1-12-15-10-9-14-18(13-7-5-6-8-16(13)22)25(4)24-20(14)21(15,2)11-17(23-3)19(12)26;1-13-16-11-10-15-18(14-8-6-5-7-9-14)24(4)23-20(15)21(16,2)12-17(22-3)19(13)25;1-12-15-8-7-14-17(13-6-5-9-22-11-13)24(4)23-19(14)20(15,2)10-16(21-3)18(12)25;1-18(2)13-8-7-11-14(17-21-10-24(5)23-17)25(6)22-15(11)19(13,3)9-12(20-4)16(18)26;1-10-21-17(23-26-10)14-11-7-8-13-18(2,3)16(25)12(20-5)9-19(13,4)15(11)22-24(14)6;1-9-11-7-6-10-13(16-19-22-24(5)21-16)23(4)20-15(10)17(11,2)8-12(18-3)14(9)25;1-16(2)12-8-7-10-13(19-20(5)15(10)22-6)17(12,3)9-11(18-4)14(16)21/h5-8,11-12,15H,9-10H2,1-2,4H3;5-9,12-13,16H,10-11H2,1-2,4H3;5-6,9-12,15H,7-8H2,1-2,4H3;9-10,13H,7-8H2,1-3,5-6H3;9,13H,7-8H2,1-4,6H3;8-9,11H,6-7H2,1-2,4-5H3;9,12H,7-8H2,1-3,5-6H3/t12-,15-,21-;13-,16-,21-;12-,15-,20-;2*13-,19-;9-,11-,17-;12-,17-/m0000000/s1
• InChIKey: HXEYJVKDYOSUOZ-OZUUYNIQSA-N
• XLogP: 20.89
• TPSA: 410.10 Ų
• H-Bond Acceptors: 33
• Rotatable Bonds: 7
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2351.83
LogP ≤ 5	20.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5aS,6S,9aR)-3-(2-fluorophenyl)-8-isocyano-2,6,9a-trimethyl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-2,6,6,9a-tetramethyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-2,6,6,9a-tetramethyl-3-(1-methyl-1,2,4-triazol-3-yl)-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aS,6S,9aR)-8-isocyano-2,6,9a-trimethyl-3-(2-methyltetrazol-5-yl)-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aS,6S,9aR)-8-isocyano-2,6,9a-trimethyl-3-phenyl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aS,6S,9aR)-8-isocyano-2,6,9a-trimethyl-3-pyridin-3-yl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-3-methoxy-2,6,6,9a-tetramethyl-5,5a-dihydro-4H-benzo[g]indazol-7-one?

The IUPAC name of (5aS,6S,9aR)-3-(2-fluorophenyl)-8-isocyano-2,6,9a-trimethyl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-2,6,6,9a-tetramethyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-2,6,6,9a-tetramethyl-3-(1-methyl-1,2,4-triazol-3-yl)-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aS,6S,9aR)-8-isocyano-2,6,9a-trimethyl-3-(2-methyltetrazol-5-yl)-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aS,6S,9aR)-8-isocyano-2,6,9a-trimethyl-3-phenyl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aS,6S,9aR)-8-isocyano-2,6,9a-trimethyl-3-pyridin-3-yl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-3-methoxy-2,6,6,9a-tetramethyl-5,5a-dihydro-4H-benzo[g]indazol-7-one (CID 167586800) is (5aS,6S,9aR)-3-(2-fluorophenyl)-8-isocyano-2,6,9a-trimethyl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-2,6,6,9a-tetramethyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-2,6,6,9a-tetramethyl-3-(1-methyl-1,2,4-triazol-3-yl)-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aS,6S,9aR)-8-isocyano-2,6,9a-trimethyl-3-(2-methyltetrazol-5-yl)-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aS,6S,9aR)-8-isocyano-2,6,9a-trimethyl-3-phenyl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aS,6S,9aR)-8-isocyano-2,6,9a-trimethyl-3-pyridin-3-yl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-3-methoxy-2,6,6,9a-tetramethyl-5,5a-dihydro-4H-benzo[g]indazol-7-one.

What is the SMILES notation for (5aS,6S,9aR)-3-(2-fluorophenyl)-8-isocyano-2,6,9a-trimethyl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-2,6,6,9a-tetramethyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-2,6,6,9a-tetramethyl-3-(1-methyl-1,2,4-triazol-3-yl)-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aS,6S,9aR)-8-isocyano-2,6,9a-trimethyl-3-(2-methyltetrazol-5-yl)-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aS,6S,9aR)-8-isocyano-2,6,9a-trimethyl-3-phenyl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aS,6S,9aR)-8-isocyano-2,6,9a-trimethyl-3-pyridin-3-yl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-3-methoxy-2,6,6,9a-tetramethyl-5,5a-dihydro-4H-benzo[g]indazol-7-one?

The canonical SMILES for (5aS,6S,9aR)-3-(2-fluorophenyl)-8-isocyano-2,6,9a-trimethyl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-2,6,6,9a-tetramethyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-2,6,6,9a-tetramethyl-3-(1-methyl-1,2,4-triazol-3-yl)-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aS,6S,9aR)-8-isocyano-2,6,9a-trimethyl-3-(2-methyltetrazol-5-yl)-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aS,6S,9aR)-8-isocyano-2,6,9a-trimethyl-3-phenyl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aS,6S,9aR)-8-isocyano-2,6,9a-trimethyl-3-pyridin-3-yl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-3-methoxy-2,6,6,9a-tetramethyl-5,5a-dihydro-4H-benzo[g]indazol-7-one is [C-]#[N+]C1=C[C@]2(C)c3nn(C)c(-c4ccccc4)c3CC[C@H]2[C@H](C)C1=O.[C-]#[N+]C1=C[C@]2(C)c3nn(C)c(-c4ccccc4F)c3CC[C@H]2[C@H](C)C1=O.[C-]#[N+]C1=C[C@]2(C)c3nn(C)c(-c4cccnc4)c3CC[C@H]2[C@H](C)C1=O.[C-]#[N+]C1=C[C@]2(C)c3nn(C)c(-c4ncn(C)n4)c3CC[C@H]2C(C)(C)C1=O.[C-]#[N+]C1=C[C@]2(C)c3nn(C)c(-c4nnn(C)n4)c3CC[C@H]2[C@H](C)C1=O.[C-]#[N+]C1=C[C@]2(C)c3nn(C)c(-c4noc(C)n4)c3CC[C@H]2C(C)(C)C1=O.[C-]#[N+]C1=C[C@]2(C)c3nn(C)c(OC)c3CC[C@H]2C(C)(C)C1=O.

What is the InChIKey of (5aS,6S,9aR)-3-(2-fluorophenyl)-8-isocyano-2,6,9a-trimethyl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-2,6,6,9a-tetramethyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-2,6,6,9a-tetramethyl-3-(1-methyl-1,2,4-triazol-3-yl)-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aS,6S,9aR)-8-isocyano-2,6,9a-trimethyl-3-(2-methyltetrazol-5-yl)-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aS,6S,9aR)-8-isocyano-2,6,9a-trimethyl-3-phenyl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aS,6S,9aR)-8-isocyano-2,6,9a-trimethyl-3-pyridin-3-yl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-3-methoxy-2,6,6,9a-tetramethyl-5,5a-dihydro-4H-benzo[g]indazol-7-one?

The InChIKey is HXEYJVKDYOSUOZ-OZUUYNIQSA-N. The full InChI is InChI=1S/C21H20FN3O.C21H21N3O.C20H20N4O.C19H22N6O.C19H21N5O2.C17H19N7O.C17H21N3O2/c1-12-15-10-9-14-18(13-7-5-6-8-16(13)22)25(4)24-20(14)21(15,2)11-17(23-3)19(12)26;1-13-16-11-10-15-18(14-8-6-5-7-9-14)24(4)23-20(15)21(16,2)12-17(22-3)19(13)25;1-12-15-8-7-14-17(13-6-5-9-22-11-13)24(4)23-19(14)20(15,2)10-16(21-3)18(12)25;1-18(2)13-8-7-11-14(17-21-10-24(5)23-17)25(6)22-15(11)19(13,3)9-12(20-4)16(18)26;1-10-21-17(23-26-10)14-11-7-8-13-18(2,3)16(25)12(20-5)9-19(13,4)15(11)22-24(14)6;1-9-11-7-6-10-13(16-19-22-24(5)21-16)23(4)20-15(10)17(11,2)8-12(18-3)14(9)25;1-16(2)12-8-7-10-13(19-20(5)15(10)22-6)17(12,3)9-11(18-4)14(16)21/h5-8,11-12,15H,9-10H2,1-2,4H3;5-9,12-13,16H,10-11H2,1-2,4H3;5-6,9-12,15H,7-8H2,1-2,4H3;9-10,13H,7-8H2,1-3,5-6H3;9,13H,7-8H2,1-4,6H3;8-9,11H,6-7H2,1-2,4-5H3;9,12H,7-8H2,1-3,5-6H3/t12-,15-,21-;13-,16-,21-;12-,15-,20-;2*13-,19-;9-,11-,17-;12-,17-/m0000000/s1.

What are the key properties of (5aS,6S,9aR)-3-(2-fluorophenyl)-8-isocyano-2,6,9a-trimethyl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-2,6,6,9a-tetramethyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-2,6,6,9a-tetramethyl-3-(1-methyl-1,2,4-triazol-3-yl)-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aS,6S,9aR)-8-isocyano-2,6,9a-trimethyl-3-(2-methyltetrazol-5-yl)-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aS,6S,9aR)-8-isocyano-2,6,9a-trimethyl-3-phenyl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aS,6S,9aR)-8-isocyano-2,6,9a-trimethyl-3-pyridin-3-yl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-3-methoxy-2,6,6,9a-tetramethyl-5,5a-dihydro-4H-benzo[g]indazol-7-one?

(5aS,6S,9aR)-3-(2-fluorophenyl)-8-isocyano-2,6,9a-trimethyl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-2,6,6,9a-tetramethyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-2,6,6,9a-tetramethyl-3-(1-methyl-1,2,4-triazol-3-yl)-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aS,6S,9aR)-8-isocyano-2,6,9a-trimethyl-3-(2-methyltetrazol-5-yl)-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aS,6S,9aR)-8-isocyano-2,6,9a-trimethyl-3-phenyl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aS,6S,9aR)-8-isocyano-2,6,9a-trimethyl-3-pyridin-3-yl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-3-methoxy-2,6,6,9a-tetramethyl-5,5a-dihydro-4H-benzo[g]indazol-7-one has a molecular weight of 2351.83 g/mol, XLogP of 20.89, 7 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for (5aS,6S,9aR)-3-(2-fluorophenyl)-8-isocyano-2,6,9a-trimethyl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-2,6,6,9a-tetramethyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-2,6,6,9a-tetramethyl-3-(1-methyl-1,2,4-triazol-3-yl)-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aS,6S,9aR)-8-isocyano-2,6,9a-trimethyl-3-(2-methyltetrazol-5-yl)-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aS,6S,9aR)-8-isocyano-2,6,9a-trimethyl-3-phenyl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aS,6S,9aR)-8-isocyano-2,6,9a-trimethyl-3-pyridin-3-yl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-3-methoxy-2,6,6,9a-tetramethyl-5,5a-dihydro-4H-benzo[g]indazol-7-one is sourced from PubChem (CID 167586800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).