(5aR,9aS)-2,6,6,9a-tetramethyl-3-(1-methyl-1,2,4-triazol-3-yl)-5,5a,8,9-tetrahydro-4H-benzo[g]indazol-7-one;(5aR,10aS)-2,6,6,10a-tetramethyl-3-(1-methyl-1,2,4-triazol-3-yl)-4,5,5a,10-tetrahydroindazolo[7,6-f][1,2]benzoxazole;(5'aR,9'aS)-2',6',6',9'a-tetramethyl-3'-(1-methyl-1,2,4-triazol-3-yl)spiro[1,3-dioxolane-2,7'-5,5a,8,9-tetrahydro-4H-benzo[g]indazole];(5'aR,9'aS)-2',6',6',9'a-tetramethylspiro[1,3-dioxolane-2,7'-5,5a,8,9-tetrahydro-4H-benzo[g]indazole]-3'-carboxamide;(5'aR,9'aS)-N-(dimethylaminomethylidene)-2',6',6',9'a-tetramethylspiro[1,3-dioxolane-2,7'-5,5a,8,9-tetrahydro-4H-benzo[g]indazole]-3'-carboxamide;(5aR,8Z,9aS)-8-(hydroxymethylidene)-2,6,6,9a-tetramethyl-3-(1-methyl-1,2,4-triazol-3-yl)-4,5,5a,9-tetrahydrobenzo[g]indazol-7-one

C115H162N28O12 — CID 157161856

About (5aR,9aS)-2,6,6,9a-tetramethyl-3-(1-methyl-1,2,4-triazol-3-yl)-5,5a,8,9-tetrahydro-4H-benzo[g]indazol-7-one;(5aR,10aS)-2,6,6,10a-tetramethyl-3-(1-methyl-1,2,4-triazol-3-yl)-4,5,5a,10-tetrahydroindazolo[7,6-f][1,2]benzoxazole;(5'aR,9'aS)-2',6',6',9'a-tetramethyl-3'-(1-methyl-1,2,4-triazol-3-yl)spiro[1,3-dioxolane-2,7'-5,5a,8,9-tetrahydro-4H-benzo[g]indazole];(5'aR,9'aS)-2',6',6',9'a-tetramethylspiro[1,3-dioxolane-2,7'-5,5a,8,9-tetrahydro-4H-benzo[g]indazole]-3'-carboxamide;(5'aR,9'aS)-N-(dimethylaminomethylidene)-2',6',6',9'a-tetramethylspiro[1,3-dioxolane-2,7'-5,5a,8,9-tetrahydro-4H-benzo[g]indazole]-3'-carboxamide;(5aR,8Z,9aS)-8-(hydroxymethylidene)-2,6,6,9a-tetramethyl-3-(1-methyl-1,2,4-triazol-3-yl)-4,5,5a,9-tetrahydrobenzo[g]indazol-7-one

(5aR,9aS)-2,6,6,9a-tetramethyl-3-(1-methyl-1,2,4-triazol-3-yl)-5,5a,8,9-tetrahydro-4H-benzo[g]indazol-7-one;(5aR,10aS)-2,6,6,10a-tetramethyl-3-(1-methyl-1,2,4-triazol-3-yl)-4,5,5a,10-tetrahydroindazolo[7,6-f][1,2]benzoxazole;(5'aR,9'aS)-2',6',6',9'a-tetramethyl-3'-(1-methyl-1,2,4-triazol-3-yl)spiro[1,3-dioxolane-2,7'-5,5a,8,9-tetrahydro-4H-benzo[g]indazole];(5'aR,9'aS)-2',6',6',9'a-tetramethylspiro[1,3-dioxolane-2,7'-5,5a,8,9-tetrahydro-4H-benzo[g]indazole]-3'-carboxamide;(5'aR,9'aS)-N-(dimethylaminomethylidene)-2',6',6',9'a-tetramethylspiro[1,3-dioxolane-2,7'-5,5a,8,9-tetrahydro-4H-benzo[g]indazole]-3'-carboxamide;(5aR,8Z,9aS)-8-(hydroxymethylidene)-2,6,6,9a-tetramethyl-3-(1-methyl-1,2,4-triazol-3-yl)-4,5,5a,9-tetrahydrobenzo[g]indazol-7-one (PubChem CID 157161856) has the molecular formula C115H162N28O12 and a molecular weight of 2128.74 g/mol. Its IUPAC name is (5aR,9aS)-2,6,6,9a-tetramethyl-3-(1-methyl-1,2,4-triazol-3-yl)-5,5a,8,9-tetrahydro-4H-benzo[g]indazol-7-one;(5aR,10aS)-2,6,6,10a-tetramethyl-3-(1-methyl-1,2,4-triazol-3-yl)-4,5,5a,10-tetrahydroindazolo[7,6-f][1,2]benzoxazole;(5'aR,9'aS)-2',6',6',9'a-tetramethyl-3'-(1-methyl-1,2,4-triazol-3-yl)spiro[1,3-dioxolane-2,7'-5,5a,8,9-tetrahydro-4H-benzo[g]indazole];(5'aR,9'aS)-2',6',6',9'a-tetramethylspiro[1,3-dioxolane-2,7'-5,5a,8,9-tetrahydro-4H-benzo[g]indazole]-3'-carboxamide;(5'aR,9'aS)-N-(dimethylaminomethylidene)-2',6',6',9'a-tetramethylspiro[1,3-dioxolane-2,7'-5,5a,8,9-tetrahydro-4H-benzo[g]indazole]-3'-carboxamide;(5aR,8Z,9aS)-8-(hydroxymethylidene)-2,6,6,9a-tetramethyl-3-(1-methyl-1,2,4-triazol-3-yl)-4,5,5a,9-tetrahydrobenzo[g]indazol-7-one.

Molecular Properties

• Compound Name: (5aR,9aS)-2,6,6,9a-tetramethyl-3-(1-methyl-1,2,4-triazol-3-yl)-5,5a,8,9-tetrahydro-4H-benzo[g]indazol-7-one;(5aR,10aS)-2,6,6,10a-tetramethyl-3-(1-methyl-1,2,4-triazol-3-yl)-4,5,5a,10-tetrahydroindazolo[7,6-f][1,2]benzoxazole;(5'aR,9'aS)-2',6',6',9'a-tetramethyl-3'-(1-methyl-1,2,4-triazol-3-yl)spiro[1,3-dioxolane-2,7'-5,5a,8,9-tetrahydro-4H-benzo[g]indazole];(5'aR,9'aS)-2',6',6',9'a-tetramethylspiro[1,3-dioxolane-2,7'-5,5a,8,9-tetrahydro-4H-benzo[g]indazole]-3'-carboxamide;(5'aR,9'aS)-N-(dimethylaminomethylidene)-2',6',6',9'a-tetramethylspiro[1,3-dioxolane-2,7'-5,5a,8,9-tetrahydro-4H-benzo[g]indazole]-3'-carboxamide;(5aR,8Z,9aS)-8-(hydroxymethylidene)-2,6,6,9a-tetramethyl-3-(1-methyl-1,2,4-triazol-3-yl)-4,5,5a,9-tetrahydrobenzo[g]indazol-7-one
• PubChem CID: 157161856
• Molecular Formula: C115H162N28O12
• Molecular Weight: 2128.74 g/mol
• Exact Mass: 2127.29
• IUPAC Name: (5aR,9aS)-2,6,6,9a-tetramethyl-3-(1-methyl-1,2,4-triazol-3-yl)-5,5a,8,9-tetrahydro-4H-benzo[g]indazol-7-one;(5aR,10aS)-2,6,6,10a-tetramethyl-3-(1-methyl-1,2,4-triazol-3-yl)-4,5,5a,10-tetrahydroindazolo[7,6-f][1,2]benzoxazole;(5'aR,9'aS)-2',6',6',9'a-tetramethyl-3'-(1-methyl-1,2,4-triazol-3-yl)spiro[1,3-dioxolane-2,7'-5,5a,8,9-tetrahydro-4H-benzo[g]indazole];(5'aR,9'aS)-2',6',6',9'a-tetramethylspiro[1,3-dioxolane-2,7'-5,5a,8,9-tetrahydro-4H-benzo[g]indazole]-3'-carboxamide;(5'aR,9'aS)-N-(dimethylaminomethylidene)-2',6',6',9'a-tetramethylspiro[1,3-dioxolane-2,7'-5,5a,8,9-tetrahydro-4H-benzo[g]indazole]-3'-carboxamide;(5aR,8Z,9aS)-8-(hydroxymethylidene)-2,6,6,9a-tetramethyl-3-(1-methyl-1,2,4-triazol-3-yl)-4,5,5a,9-tetrahydrobenzo[g]indazol-7-one
• SMILES: CN(C)/C=N/C(=O)c1c2c(nn1C)[C@@]1(C)CCC3(OCCO3)C(C)(C)[C@@H]1CC2.Cn1cnc(-c2c3c(nn2C)[C@@]2(C)C/C(=C/O)C(=O)C(C)(C)[C@@H]2CC3)n1.Cn1cnc(-c2c3c(nn2C)[C@@]2(C)CCC(=O)C(C)(C)[C@@H]2CC3)n1.Cn1cnc(-c2c3c(nn2C)[C@@]2(C)CCC4(OCCO4)C(C)(C)[C@@H]2CC3)n1.Cn1cnc(-c2c3c(nn2C)[C@@]2(C)Cc4cnoc4C(C)(C)[C@@H]2CC3)n1.Cn1nc2c(c1C(N)=O)CC[C@H]1C(C)(C)C3(CC[C@]21C)OCCO3
• InChI: InChI=1S/C21H32N4O3.C20H29N5O2.C19H24N6O.C19H25N5O2.C18H25N5O.C18H27N3O3/c1-19(2)15-8-7-14-16(18(26)22-13-24(4)5)25(6)23-17(14)20(15,3)9-10-21(19)27-11-12-28-21;1-18(2)14-7-6-13-15(17-21-12-24(4)23-17)25(5)22-16(13)19(14,3)8-9-20(18)26-10-11-27-20;1-18(2)13-7-6-12-14(17-20-10-24(4)23-17)25(5)22-15(12)19(13,3)8-11-9-21-26-16(11)18;1-18(2)13-7-6-12-14(17-20-10-23(4)22-17)24(5)21-15(12)19(13,3)8-11(9-25)16(18)26;1-17(2)12-7-6-11-14(16-19-10-22(4)21-16)23(5)20-15(11)18(12,3)9-8-13(17)24;1-16(2)12-6-5-11-13(15(19)22)21(4)20-14(11)17(12,3)7-8-18(16)23-9-10-24-18/h13,15H,7-12H2,1-6H3;12,14H,6-11H2,1-5H3;9-10,13H,6-8H2,1-5H3;9-10,13,25H,6-8H2,1-5H3;10,12H,6-9H2,1-5H3;12H,5-10H2,1-4H3,(H2,19,22)/b22-13+;;;11-9-;;/t15-,20-;14-,19-;2*13-,19-;12-,18-;12-,17-/m000000/s1
• InChIKey: AMLWCZMYXVMEOV-XEQSCPTDSA-N
• XLogP: 14.49
• TPSA: 441.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 37
• Rotatable Bonds: 7
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2128.74
LogP ≤ 5	14.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'keto_keto_beta_D(5)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5aR,9aS)-2,6,6,9a-tetramethyl-3-(1-methyl-1,2,4-triazol-3-yl)-5,5a,8,9-tetrahydro-4H-benzo[g]indazol-7-one;(5aR,10aS)-2,6,6,10a-tetramethyl-3-(1-methyl-1,2,4-triazol-3-yl)-4,5,5a,10-tetrahydroindazolo[7,6-f][1,2]benzoxazole;(5'aR,9'aS)-2',6',6',9'a-tetramethyl-3'-(1-methyl-1,2,4-triazol-3-yl)spiro[1,3-dioxolane-2,7'-5,5a,8,9-tetrahydro-4H-benzo[g]indazole];(5'aR,9'aS)-2',6',6',9'a-tetramethylspiro[1,3-dioxolane-2,7'-5,5a,8,9-tetrahydro-4H-benzo[g]indazole]-3'-carboxamide;(5'aR,9'aS)-N-(dimethylaminomethylidene)-2',6',6',9'a-tetramethylspiro[1,3-dioxolane-2,7'-5,5a,8,9-tetrahydro-4H-benzo[g]indazole]-3'-carboxamide;(5aR,8Z,9aS)-8-(hydroxymethylidene)-2,6,6,9a-tetramethyl-3-(1-methyl-1,2,4-triazol-3-yl)-4,5,5a,9-tetrahydrobenzo[g]indazol-7-one?

The IUPAC name of (5aR,9aS)-2,6,6,9a-tetramethyl-3-(1-methyl-1,2,4-triazol-3-yl)-5,5a,8,9-tetrahydro-4H-benzo[g]indazol-7-one;(5aR,10aS)-2,6,6,10a-tetramethyl-3-(1-methyl-1,2,4-triazol-3-yl)-4,5,5a,10-tetrahydroindazolo[7,6-f][1,2]benzoxazole;(5'aR,9'aS)-2',6',6',9'a-tetramethyl-3'-(1-methyl-1,2,4-triazol-3-yl)spiro[1,3-dioxolane-2,7'-5,5a,8,9-tetrahydro-4H-benzo[g]indazole];(5'aR,9'aS)-2',6',6',9'a-tetramethylspiro[1,3-dioxolane-2,7'-5,5a,8,9-tetrahydro-4H-benzo[g]indazole]-3'-carboxamide;(5'aR,9'aS)-N-(dimethylaminomethylidene)-2',6',6',9'a-tetramethylspiro[1,3-dioxolane-2,7'-5,5a,8,9-tetrahydro-4H-benzo[g]indazole]-3'-carboxamide;(5aR,8Z,9aS)-8-(hydroxymethylidene)-2,6,6,9a-tetramethyl-3-(1-methyl-1,2,4-triazol-3-yl)-4,5,5a,9-tetrahydrobenzo[g]indazol-7-one (CID 157161856) is (5aR,9aS)-2,6,6,9a-tetramethyl-3-(1-methyl-1,2,4-triazol-3-yl)-5,5a,8,9-tetrahydro-4H-benzo[g]indazol-7-one;(5aR,10aS)-2,6,6,10a-tetramethyl-3-(1-methyl-1,2,4-triazol-3-yl)-4,5,5a,10-tetrahydroindazolo[7,6-f][1,2]benzoxazole;(5'aR,9'aS)-2',6',6',9'a-tetramethyl-3'-(1-methyl-1,2,4-triazol-3-yl)spiro[1,3-dioxolane-2,7'-5,5a,8,9-tetrahydro-4H-benzo[g]indazole];(5'aR,9'aS)-2',6',6',9'a-tetramethylspiro[1,3-dioxolane-2,7'-5,5a,8,9-tetrahydro-4H-benzo[g]indazole]-3'-carboxamide;(5'aR,9'aS)-N-(dimethylaminomethylidene)-2',6',6',9'a-tetramethylspiro[1,3-dioxolane-2,7'-5,5a,8,9-tetrahydro-4H-benzo[g]indazole]-3'-carboxamide;(5aR,8Z,9aS)-8-(hydroxymethylidene)-2,6,6,9a-tetramethyl-3-(1-methyl-1,2,4-triazol-3-yl)-4,5,5a,9-tetrahydrobenzo[g]indazol-7-one.

What is the SMILES notation for (5aR,9aS)-2,6,6,9a-tetramethyl-3-(1-methyl-1,2,4-triazol-3-yl)-5,5a,8,9-tetrahydro-4H-benzo[g]indazol-7-one;(5aR,10aS)-2,6,6,10a-tetramethyl-3-(1-methyl-1,2,4-triazol-3-yl)-4,5,5a,10-tetrahydroindazolo[7,6-f][1,2]benzoxazole;(5'aR,9'aS)-2',6',6',9'a-tetramethyl-3'-(1-methyl-1,2,4-triazol-3-yl)spiro[1,3-dioxolane-2,7'-5,5a,8,9-tetrahydro-4H-benzo[g]indazole];(5'aR,9'aS)-2',6',6',9'a-tetramethylspiro[1,3-dioxolane-2,7'-5,5a,8,9-tetrahydro-4H-benzo[g]indazole]-3'-carboxamide;(5'aR,9'aS)-N-(dimethylaminomethylidene)-2',6',6',9'a-tetramethylspiro[1,3-dioxolane-2,7'-5,5a,8,9-tetrahydro-4H-benzo[g]indazole]-3'-carboxamide;(5aR,8Z,9aS)-8-(hydroxymethylidene)-2,6,6,9a-tetramethyl-3-(1-methyl-1,2,4-triazol-3-yl)-4,5,5a,9-tetrahydrobenzo[g]indazol-7-one?

The canonical SMILES for (5aR,9aS)-2,6,6,9a-tetramethyl-3-(1-methyl-1,2,4-triazol-3-yl)-5,5a,8,9-tetrahydro-4H-benzo[g]indazol-7-one;(5aR,10aS)-2,6,6,10a-tetramethyl-3-(1-methyl-1,2,4-triazol-3-yl)-4,5,5a,10-tetrahydroindazolo[7,6-f][1,2]benzoxazole;(5'aR,9'aS)-2',6',6',9'a-tetramethyl-3'-(1-methyl-1,2,4-triazol-3-yl)spiro[1,3-dioxolane-2,7'-5,5a,8,9-tetrahydro-4H-benzo[g]indazole];(5'aR,9'aS)-2',6',6',9'a-tetramethylspiro[1,3-dioxolane-2,7'-5,5a,8,9-tetrahydro-4H-benzo[g]indazole]-3'-carboxamide;(5'aR,9'aS)-N-(dimethylaminomethylidene)-2',6',6',9'a-tetramethylspiro[1,3-dioxolane-2,7'-5,5a,8,9-tetrahydro-4H-benzo[g]indazole]-3'-carboxamide;(5aR,8Z,9aS)-8-(hydroxymethylidene)-2,6,6,9a-tetramethyl-3-(1-methyl-1,2,4-triazol-3-yl)-4,5,5a,9-tetrahydrobenzo[g]indazol-7-one is CN(C)/C=N/C(=O)c1c2c(nn1C)[C@@]1(C)CCC3(OCCO3)C(C)(C)[C@@H]1CC2.Cn1cnc(-c2c3c(nn2C)[C@@]2(C)C/C(=C/O)C(=O)C(C)(C)[C@@H]2CC3)n1.Cn1cnc(-c2c3c(nn2C)[C@@]2(C)CCC(=O)C(C)(C)[C@@H]2CC3)n1.Cn1cnc(-c2c3c(nn2C)[C@@]2(C)CCC4(OCCO4)C(C)(C)[C@@H]2CC3)n1.Cn1cnc(-c2c3c(nn2C)[C@@]2(C)Cc4cnoc4C(C)(C)[C@@H]2CC3)n1.Cn1nc2c(c1C(N)=O)CC[C@H]1C(C)(C)C3(CC[C@]21C)OCCO3.

What is the InChIKey of (5aR,9aS)-2,6,6,9a-tetramethyl-3-(1-methyl-1,2,4-triazol-3-yl)-5,5a,8,9-tetrahydro-4H-benzo[g]indazol-7-one;(5aR,10aS)-2,6,6,10a-tetramethyl-3-(1-methyl-1,2,4-triazol-3-yl)-4,5,5a,10-tetrahydroindazolo[7,6-f][1,2]benzoxazole;(5'aR,9'aS)-2',6',6',9'a-tetramethyl-3'-(1-methyl-1,2,4-triazol-3-yl)spiro[1,3-dioxolane-2,7'-5,5a,8,9-tetrahydro-4H-benzo[g]indazole];(5'aR,9'aS)-2',6',6',9'a-tetramethylspiro[1,3-dioxolane-2,7'-5,5a,8,9-tetrahydro-4H-benzo[g]indazole]-3'-carboxamide;(5'aR,9'aS)-N-(dimethylaminomethylidene)-2',6',6',9'a-tetramethylspiro[1,3-dioxolane-2,7'-5,5a,8,9-tetrahydro-4H-benzo[g]indazole]-3'-carboxamide;(5aR,8Z,9aS)-8-(hydroxymethylidene)-2,6,6,9a-tetramethyl-3-(1-methyl-1,2,4-triazol-3-yl)-4,5,5a,9-tetrahydrobenzo[g]indazol-7-one?

The InChIKey is AMLWCZMYXVMEOV-XEQSCPTDSA-N. The full InChI is InChI=1S/C21H32N4O3.C20H29N5O2.C19H24N6O.C19H25N5O2.C18H25N5O.C18H27N3O3/c1-19(2)15-8-7-14-16(18(26)22-13-24(4)5)25(6)23-17(14)20(15,3)9-10-21(19)27-11-12-28-21;1-18(2)14-7-6-13-15(17-21-12-24(4)23-17)25(5)22-16(13)19(14,3)8-9-20(18)26-10-11-27-20;1-18(2)13-7-6-12-14(17-20-10-24(4)23-17)25(5)22-15(12)19(13,3)8-11-9-21-26-16(11)18;1-18(2)13-7-6-12-14(17-20-10-23(4)22-17)24(5)21-15(12)19(13,3)8-11(9-25)16(18)26;1-17(2)12-7-6-11-14(16-19-10-22(4)21-16)23(5)20-15(11)18(12,3)9-8-13(17)24;1-16(2)12-6-5-11-13(15(19)22)21(4)20-14(11)17(12,3)7-8-18(16)23-9-10-24-18/h13,15H,7-12H2,1-6H3;12,14H,6-11H2,1-5H3;9-10,13H,6-8H2,1-5H3;9-10,13,25H,6-8H2,1-5H3;10,12H,6-9H2,1-5H3;12H,5-10H2,1-4H3,(H2,19,22)/b22-13+;;;11-9-;;/t15-,20-;14-,19-;2*13-,19-;12-,18-;12-,17-/m000000/s1.

What are the key properties of (5aR,9aS)-2,6,6,9a-tetramethyl-3-(1-methyl-1,2,4-triazol-3-yl)-5,5a,8,9-tetrahydro-4H-benzo[g]indazol-7-one;(5aR,10aS)-2,6,6,10a-tetramethyl-3-(1-methyl-1,2,4-triazol-3-yl)-4,5,5a,10-tetrahydroindazolo[7,6-f][1,2]benzoxazole;(5'aR,9'aS)-2',6',6',9'a-tetramethyl-3'-(1-methyl-1,2,4-triazol-3-yl)spiro[1,3-dioxolane-2,7'-5,5a,8,9-tetrahydro-4H-benzo[g]indazole];(5'aR,9'aS)-2',6',6',9'a-tetramethylspiro[1,3-dioxolane-2,7'-5,5a,8,9-tetrahydro-4H-benzo[g]indazole]-3'-carboxamide;(5'aR,9'aS)-N-(dimethylaminomethylidene)-2',6',6',9'a-tetramethylspiro[1,3-dioxolane-2,7'-5,5a,8,9-tetrahydro-4H-benzo[g]indazole]-3'-carboxamide;(5aR,8Z,9aS)-8-(hydroxymethylidene)-2,6,6,9a-tetramethyl-3-(1-methyl-1,2,4-triazol-3-yl)-4,5,5a,9-tetrahydrobenzo[g]indazol-7-one?

(5aR,9aS)-2,6,6,9a-tetramethyl-3-(1-methyl-1,2,4-triazol-3-yl)-5,5a,8,9-tetrahydro-4H-benzo[g]indazol-7-one;(5aR,10aS)-2,6,6,10a-tetramethyl-3-(1-methyl-1,2,4-triazol-3-yl)-4,5,5a,10-tetrahydroindazolo[7,6-f][1,2]benzoxazole;(5'aR,9'aS)-2',6',6',9'a-tetramethyl-3'-(1-methyl-1,2,4-triazol-3-yl)spiro[1,3-dioxolane-2,7'-5,5a,8,9-tetrahydro-4H-benzo[g]indazole];(5'aR,9'aS)-2',6',6',9'a-tetramethylspiro[1,3-dioxolane-2,7'-5,5a,8,9-tetrahydro-4H-benzo[g]indazole]-3'-carboxamide;(5'aR,9'aS)-N-(dimethylaminomethylidene)-2',6',6',9'a-tetramethylspiro[1,3-dioxolane-2,7'-5,5a,8,9-tetrahydro-4H-benzo[g]indazole]-3'-carboxamide;(5aR,8Z,9aS)-8-(hydroxymethylidene)-2,6,6,9a-tetramethyl-3-(1-methyl-1,2,4-triazol-3-yl)-4,5,5a,9-tetrahydrobenzo[g]indazol-7-one has a molecular weight of 2128.74 g/mol, XLogP of 14.49, 7 rotatable bonds, 2 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for (5aR,9aS)-2,6,6,9a-tetramethyl-3-(1-methyl-1,2,4-triazol-3-yl)-5,5a,8,9-tetrahydro-4H-benzo[g]indazol-7-one;(5aR,10aS)-2,6,6,10a-tetramethyl-3-(1-methyl-1,2,4-triazol-3-yl)-4,5,5a,10-tetrahydroindazolo[7,6-f][1,2]benzoxazole;(5'aR,9'aS)-2',6',6',9'a-tetramethyl-3'-(1-methyl-1,2,4-triazol-3-yl)spiro[1,3-dioxolane-2,7'-5,5a,8,9-tetrahydro-4H-benzo[g]indazole];(5'aR,9'aS)-2',6',6',9'a-tetramethylspiro[1,3-dioxolane-2,7'-5,5a,8,9-tetrahydro-4H-benzo[g]indazole]-3'-carboxamide;(5'aR,9'aS)-N-(dimethylaminomethylidene)-2',6',6',9'a-tetramethylspiro[1,3-dioxolane-2,7'-5,5a,8,9-tetrahydro-4H-benzo[g]indazole]-3'-carboxamide;(5aR,8Z,9aS)-8-(hydroxymethylidene)-2,6,6,9a-tetramethyl-3-(1-methyl-1,2,4-triazol-3-yl)-4,5,5a,9-tetrahydrobenzo[g]indazol-7-one is sourced from PubChem (CID 157161856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).