(5aS,6S,9aS)-2,3,6,9a-tetramethyl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-(2-methyltetrazol-5-yl)-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-phenyl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-pyridin-3-yl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-pyrimidin-5-yl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-3-(2-fluorophenyl)-2,6,9a-trimethyl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one

C142H180FN27O10 — CID 167592658

IUPAC(5aS,6S,9aS)-2,3,6,9a-tetramethyl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-(2-methyltetrazol-5-yl)-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-phenyl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-pyridin-3-yl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-pyrimidin-5-yl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-3-(2-fluorophenyl)-2,6,9a-trimethyl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one
SMILESC[C@@H]1C(=O)CC[C@]2(C)c3nn(C)c(-c4ccccc4)c3CC[C@@H]12.C[C@@H]1C(=O)CC[C@]2(C)c3nn(C)c(-c4ccccc4F)c3CC[C@@H]12.C[C@@H]1C(=O)CC[C@]2(C)c3nn(C)c(-c4cccnc4)c3CC[C@@H]12.C[C@@H]1C(=O)CC[C@]2(C)c3nn(C)c(-c4cncnc4)c3CC[C@@H]12.C[C@@H]1C(=O)CC[C@]2(C)c3nn(C)c(-c4nnn(C)n4)c3CC[C@@H]12.Cc1c2c(nn1C)[C@@]1(C)CCC(=O)[C@@H](C)[C@@H]1CC2.Cc1nnc(-c2c3c(nn2C)[C@@]2(C)CCC(=O)[C@@H](C)[C@@H]2CC3)o1.Cc1noc(-c2c3c(nn2C)[C@@]2(C)CCC(=O)[C@@H](C)[C@@H]2CC3)n1
InChIInChI=1S/C20H23FN2O.C20H24N2O.C19H23N3O.C18H22N4O.2C17H22N4O2.C16H22N6O.C15H22N2O/c1-12-15-9-8-14-18(13-6-4-5-7-16(13)21)23(3)22-19(14)20(15,2)11-10-17(12)24;1-13-16-10-9-15-18(14-7-5-4-6-8-14)22(3)21-19(15)20(16,2)12-11-17(13)23;1-12-15-7-6-14-17(13-5-4-10-20-11-13)22(3)21-18(14)19(15,2)9-8-16(12)23;1-11-14-5-4-13-16(12-8-19-10-20-9-12)22(3)21-17(13)18(14,2)7-6-15(11)23;1-9-12-6-5-11-14(16-19-18-10(2)23-16)21(4)20-15(11)17(12,3)8-7-13(9)22;1-9-12-6-5-11-14(16-18-10(2)20-23-16)21(4)19-15(11)17(12,3)8-7-13(9)22;1-9-11-6-5-10-13(15-17-20-22(4)19-15)21(3)18-14(10)16(11,2)8-7-12(9)23;1-9-12-6-5-11-10(2)17(4)16-14(11)15(12,3)8-7-13(9)18/h4-7,12,15H,8-11H2,1-3H3;4-8,13,16H,9-12H2,1-3H3;4-5,10-12,15H,6-9H2,1-3H3;8-11,14H,4-7H2,1-3H3;2*9,12H,5-8H2,1-4H3;9,11H,5-8H2,1-4H3;9,12H,5-8H2,1-4H3/t12-,15-,20-;13-,16-,20-;12-,15-,19-;11-,14-,18-;2*9-,12-,17-;9-,11-,16-;9-,12-,15-/m00000000/s1
InChIKeyIQBJZZPXZWDZNY-UUCKRMEGSA-N
MW2444.18 g/mol
LogP23.12
Rot. Bonds7

About (5aS,6S,9aS)-2,3,6,9a-tetramethyl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-(2-methyltetrazol-5-yl)-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-phenyl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-pyridin-3-yl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-pyrimidin-5-yl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-3-(2-fluorophenyl)-2,6,9a-trimethyl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one

(5aS,6S,9aS)-2,3,6,9a-tetramethyl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-(2-methyltetrazol-5-yl)-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-phenyl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-pyridin-3-yl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-pyrimidin-5-yl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-3-(2-fluorophenyl)-2,6,9a-trimethyl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one (PubChem CID 167592658) has the molecular formula C142H180FN27O10 and a molecular weight of 2444.18 g/mol. Its IUPAC name is (5aS,6S,9aS)-2,3,6,9a-tetramethyl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-(2-methyltetrazol-5-yl)-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-phenyl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-pyridin-3-yl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-pyrimidin-5-yl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-3-(2-fluorophenyl)-2,6,9a-trimethyl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one.

Molecular Properties

Compound Name(5aS,6S,9aS)-2,3,6,9a-tetramethyl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-(2-methyltetrazol-5-yl)-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-phenyl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-pyridin-3-yl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-pyrimidin-5-yl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-3-(2-fluorophenyl)-2,6,9a-trimethyl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one
PubChem CID167592658
Molecular FormulaC142H180FN27O10
Molecular Weight2444.18 g/mol
Exact Mass2442.44
IUPAC Name(5aS,6S,9aS)-2,3,6,9a-tetramethyl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-(2-methyltetrazol-5-yl)-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-phenyl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-pyridin-3-yl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-pyrimidin-5-yl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-3-(2-fluorophenyl)-2,6,9a-trimethyl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one
SMILESC[C@@H]1C(=O)CC[C@]2(C)c3nn(C)c(-c4ccccc4)c3CC[C@@H]12.C[C@@H]1C(=O)CC[C@]2(C)c3nn(C)c(-c4ccccc4F)c3CC[C@@H]12.C[C@@H]1C(=O)CC[C@]2(C)c3nn(C)c(-c4cccnc4)c3CC[C@@H]12.C[C@@H]1C(=O)CC[C@]2(C)c3nn(C)c(-c4cncnc4)c3CC[C@@H]12.C[C@@H]1C(=O)CC[C@]2(C)c3nn(C)c(-c4nnn(C)n4)c3CC[C@@H]12.Cc1c2c(nn1C)[C@@]1(C)CCC(=O)[C@@H](C)[C@@H]1CC2.Cc1nnc(-c2c3c(nn2C)[C@@]2(C)CCC(=O)[C@@H](C)[C@@H]2CC3)o1.Cc1noc(-c2c3c(nn2C)[C@@]2(C)CCC(=O)[C@@H](C)[C@@H]2CC3)n1
InChIInChI=1S/C20H23FN2O.C20H24N2O.C19H23N3O.C18H22N4O.2C17H22N4O2.C16H22N6O.C15H22N2O/c1-12-15-9-8-14-18(13-6-4-5-7-16(13)21)23(3)22-19(14)20(15,2)11-10-17(12)24;1-13-16-10-9-15-18(14-7-5-4-6-8-14)22(3)21-19(15)20(16,2)12-11-17(13)23;1-12-15-7-6-14-17(13-5-4-10-20-11-13)22(3)21-18(14)19(15,2)9-8-16(12)23;1-11-14-5-4-13-16(12-8-19-10-20-9-12)22(3)21-17(13)18(14,2)7-6-15(11)23;1-9-12-6-5-11-14(16-19-18-10(2)23-16)21(4)20-15(11)17(12,3)8-7-13(9)22;1-9-12-6-5-11-14(16-18-10(2)20-23-16)21(4)19-15(11)17(12,3)8-7-13(9)22;1-9-11-6-5-10-13(15-17-20-22(4)19-15)21(3)18-14(10)16(11,2)8-7-12(9)23;1-9-12-6-5-11-10(2)17(4)16-14(11)15(12,3)8-7-13(9)18/h4-7,12,15H,8-11H2,1-3H3;4-8,13,16H,9-12H2,1-3H3;4-5,10-12,15H,6-9H2,1-3H3;8-11,14H,4-7H2,1-3H3;2*9,12H,5-8H2,1-4H3;9,11H,5-8H2,1-4H3;9,12H,5-8H2,1-4H3/t12-,15-,20-;13-,16-,20-;12-,15-,19-;11-,14-,18-;2*9-,12-,17-;9-,11-,16-;9-,12-,15-/m00000000/s1
InChIKeyIQBJZZPXZWDZNY-UUCKRMEGSA-N
XLogP23.12
TPSA439.23 Ų
H-Bond Donors
H-Bond Acceptors37
Rotatable Bonds7
Heavy Atoms180
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002444.18
LogP ≤ 523.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1037

Analyze (5aS,6S,9aS)-2,3,6,9a-tetramethyl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-(2-methyltetrazol-5-yl)-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-phenyl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-pyridin-3-yl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-pyrimidin-5-yl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-3-(2-fluorophenyl)-2,6,9a-trimethyl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one with MolForge

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Related Compounds

(5aR,6R,9aS)-1-[4-[6-[2-[(5aR,6R,9aS)-8-cyano-3-(4-fluorophenyl)-1-[4-(5-fluoro-3-pyridinyl)phenyl]-9a-methyl-7-oxo-4,5,5a,6-tetrahydrobenzo[g]indazol-6-yl]ethyl]pyridazin-4-yl]phenyl]-6,9a-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-7-oxo-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile
CID 153379839
(5S)-2-(3-cyclopropyl-1H-isoindol-5-yl)-7-[2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]piperazin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-7-[2-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-isoindol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-7-[2-[4-[4-(5-methyl-1,3-oxazol-2-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-isoindol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one
CID 159409363
(5aR,6R,9aS)-1-[4-[6-[2-[(5aR,6R,9aS)-8-cyano-9a-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-7-oxo-1-(4-pyridin-3-ylphenyl)-4,5,5a,6-tetrahydrobenzo[g]indazol-6-yl]ethyl]pyridazin-4-yl]phenyl]-6,9a-dimethyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-7-oxo-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile
CID 156378844
(5aR,9aS)-2,6,6,8,9a-pentamethyl-3-phenyl-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aS,6S,9aR)-2,6,8,9a-tetramethyl-3-phenyl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-2,6,6,9a-tetramethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-2,6,6,9a-tetramethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aS,6S,9aR)-8-isocyano-2,6,9a-trimethyl-3-pyrimidin-5-yl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(1S,9R,12R,14R)-12-isocyano-1,4,10,10-tetramethyl-5-phenyl-13-oxa-3,4-diazatetracyclo[7.5.0.02,6.012,14]tetradeca-2,5-dien-11-one
CID 157073767
7-[(1R)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(1S)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(3-fluoro-2-propan-2-ylphenyl)-7-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(3-fluoro-2-propan-2-ylphenyl)-7-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-methyl-6-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-3,4-dihydroisoquinolin-1-one
CID 157103339
(5aR,9aR)-8-isocyano-2,6,6,9a-tetramethyl-3-methylidene-1,4,5,5a-tetrahydrobenzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-2,6,6,9a-tetramethyl-3-(1-propan-2-yl-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-(3-methyl-1,2,4-oxadiazol-5-yl)-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aS,6S,9aR)-8-isocyano-2,6,9a-trimethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aS,6S,9aR)-8-isocyano-2,6,9a-trimethyl-3-pyridin-2-yl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;ethyl (5aS,6S,9aR)-8-isocyano-6,9a-dimethyl-7-oxo-3-phenyl-4,5,5a,6-tetrahydrobenzo[g]indazole-2-carboxylate
CID 158252418
(5aR,6R,9aS)-8-isocyano-6,9a-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[4-(6-methylpyridazin-4-yl)phenyl]-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,6R,9aS)-8-isocyano-6,9a-dimethyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-1-[4-(6-methylpyridazin-4-yl)phenyl]-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,6R,9aS)-8-isocyano-6,9a-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(4-pyridin-3-ylphenyl)-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,6R,9aS)-8-isocyano-6,9a-dimethyl-3-(2-methyltetrazol-5-yl)-2-phenyl-4,5,5a,6-tetrahydrobenzo[e]benzimidazol-7-one;(5aR,6R,9aS)-8-isocyano-6,9a-dimethyl-3-phenyl-2-pyridin-4-yl-4,5,5a,6-tetrahydrobenzo[e]benzimidazol-7-one
CID 158681168
(5aR,6R,9aS)-1-[4-(5-fluoro-3-pyridinyl)phenyl]-8-isocyano-6,9a-dimethyl-3-(4-methylphenyl)-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,6R,9aS)-8-isocyano-6,9a-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[4-(6-methylpyridazin-4-yl)phenyl]-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,6R,9aS)-8-isocyano-6,9a-dimethyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-3-(4-methylphenyl)-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,6R,9aS)-8-isocyano-6,9a-dimethyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-3-pyridin-3-yl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one
CID 158701682
(5aR,9aR)-3-(2-benzyltetrazol-5-yl)-8-isocyano-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;(5aS,6S,9aR)-8-isocyano-2,3,6,9a-tetramethyl-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-(5-methyl-1,3,4-oxadiazol-2-yl)-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-2,6,6,9a-tetramethyl-3-(2-propan-2-yltetrazol-5-yl)-5,5a-dihydro-4H-benzo[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;(5aS,6S,9aR)-8-isocyano-2,6,9a-trimethyl-3-pyrimidin-5-yl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one
CID 159889111
(5aR,9aR)-8-isocyano-2,6,6,9a-tetramethyl-3-methylidene-1,4,5,5a-tetrahydrobenzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-2,6,6,9a-tetramethyl-3-(1-propan-2-yl-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-(3-methyl-1,2,4-oxadiazol-5-yl)-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;ethyl (5aS,6S,9aR)-8-isocyano-6,9a-dimethyl-7-oxo-3-phenyl-4,5,5a,6-tetrahydrobenzo[g]indazole-2-carboxylate
CID 160069016
(5aS,6S,9aR)-2-acetyl-8-isocyano-6,9a-dimethyl-3-phenyl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-2,6,6,9a-tetramethyl-3-methylidene-1,4,5,5a-tetrahydrobenzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-2,6,6,9a-tetramethyl-3-(1-propan-2-yl-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-(3-methyl-1,2,4-oxadiazol-5-yl)-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aS,6S,9aR)-8-isocyano-2,6,9a-trimethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aS,6S,9aR)-8-isocyano-2,6,9a-trimethyl-3-pyridin-2-yl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;ethyl (5aS,6S,9aR)-8-isocyano-6,9a-dimethyl-7-oxo-3-phenyl-4,5,5a,6-tetrahydrobenzo[g]indazole-2-carboxylate
CID 160231714
(5aR,6R,9aS)-6,9a-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[4-(6-methylpyridazin-4-yl)phenyl]-7-oxo-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-3-(4-methylphenyl)-7-oxo-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-7-oxo-3-pyridin-3-yl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-3-(3-fluorophenyl)-6,9a-dimethyl-7-oxo-1-quinolin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-1-[4-(5-fluoro-3-pyridinyl)phenyl]-6,9a-dimethyl-3-(4-methylphenyl)-7-oxo-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-1-[4-(5-fluoro-3-pyridinyl)phenyl]-6,9a-dimethyl-7-oxo-3-pyridin-3-yl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile
CID 160259575

Frequently Asked Questions

What is the IUPAC name of (5aS,6S,9aS)-2,3,6,9a-tetramethyl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-(2-methyltetrazol-5-yl)-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-phenyl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-pyridin-3-yl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-pyrimidin-5-yl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-3-(2-fluorophenyl)-2,6,9a-trimethyl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one?
The IUPAC name of (5aS,6S,9aS)-2,3,6,9a-tetramethyl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-(2-methyltetrazol-5-yl)-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-phenyl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-pyridin-3-yl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-pyrimidin-5-yl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-3-(2-fluorophenyl)-2,6,9a-trimethyl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one (CID 167592658) is (5aS,6S,9aS)-2,3,6,9a-tetramethyl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-(2-methyltetrazol-5-yl)-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-phenyl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-pyridin-3-yl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-pyrimidin-5-yl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-3-(2-fluorophenyl)-2,6,9a-trimethyl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one.
What is the SMILES notation for (5aS,6S,9aS)-2,3,6,9a-tetramethyl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-(2-methyltetrazol-5-yl)-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-phenyl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-pyridin-3-yl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-pyrimidin-5-yl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-3-(2-fluorophenyl)-2,6,9a-trimethyl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one?
The canonical SMILES for (5aS,6S,9aS)-2,3,6,9a-tetramethyl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-(2-methyltetrazol-5-yl)-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-phenyl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-pyridin-3-yl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-pyrimidin-5-yl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-3-(2-fluorophenyl)-2,6,9a-trimethyl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one is C[C@@H]1C(=O)CC[C@]2(C)c3nn(C)c(-c4ccccc4)c3CC[C@@H]12.C[C@@H]1C(=O)CC[C@]2(C)c3nn(C)c(-c4ccccc4F)c3CC[C@@H]12.C[C@@H]1C(=O)CC[C@]2(C)c3nn(C)c(-c4cccnc4)c3CC[C@@H]12.C[C@@H]1C(=O)CC[C@]2(C)c3nn(C)c(-c4cncnc4)c3CC[C@@H]12.C[C@@H]1C(=O)CC[C@]2(C)c3nn(C)c(-c4nnn(C)n4)c3CC[C@@H]12.Cc1c2c(nn1C)[C@@]1(C)CCC(=O)[C@@H](C)[C@@H]1CC2.Cc1nnc(-c2c3c(nn2C)[C@@]2(C)CCC(=O)[C@@H](C)[C@@H]2CC3)o1.Cc1noc(-c2c3c(nn2C)[C@@]2(C)CCC(=O)[C@@H](C)[C@@H]2CC3)n1.
What is the InChIKey of (5aS,6S,9aS)-2,3,6,9a-tetramethyl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-(2-methyltetrazol-5-yl)-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-phenyl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-pyridin-3-yl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-pyrimidin-5-yl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-3-(2-fluorophenyl)-2,6,9a-trimethyl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one?
The InChIKey is IQBJZZPXZWDZNY-UUCKRMEGSA-N. The full InChI is InChI=1S/C20H23FN2O.C20H24N2O.C19H23N3O.C18H22N4O.2C17H22N4O2.C16H22N6O.C15H22N2O/c1-12-15-9-8-14-18(13-6-4-5-7-16(13)21)23(3)22-19(14)20(15,2)11-10-17(12)24;1-13-16-10-9-15-18(14-7-5-4-6-8-14)22(3)21-19(15)20(16,2)12-11-17(13)23;1-12-15-7-6-14-17(13-5-4-10-20-11-13)22(3)21-18(14)19(15,2)9-8-16(12)23;1-11-14-5-4-13-16(12-8-19-10-20-9-12)22(3)21-17(13)18(14,2)7-6-15(11)23;1-9-12-6-5-11-14(16-19-18-10(2)23-16)21(4)20-15(11)17(12,3)8-7-13(9)22;1-9-12-6-5-11-14(16-18-10(2)20-23-16)21(4)19-15(11)17(12,3)8-7-13(9)22;1-9-11-6-5-10-13(15-17-20-22(4)19-15)21(3)18-14(10)16(11,2)8-7-12(9)23;1-9-12-6-5-11-10(2)17(4)16-14(11)15(12,3)8-7-13(9)18/h4-7,12,15H,8-11H2,1-3H3;4-8,13,16H,9-12H2,1-3H3;4-5,10-12,15H,6-9H2,1-3H3;8-11,14H,4-7H2,1-3H3;2*9,12H,5-8H2,1-4H3;9,11H,5-8H2,1-4H3;9,12H,5-8H2,1-4H3/t12-,15-,20-;13-,16-,20-;12-,15-,19-;11-,14-,18-;2*9-,12-,17-;9-,11-,16-;9-,12-,15-/m00000000/s1.
What are the key properties of (5aS,6S,9aS)-2,3,6,9a-tetramethyl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-(2-methyltetrazol-5-yl)-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-phenyl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-pyridin-3-yl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-pyrimidin-5-yl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-3-(2-fluorophenyl)-2,6,9a-trimethyl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one?
(5aS,6S,9aS)-2,3,6,9a-tetramethyl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-(2-methyltetrazol-5-yl)-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-phenyl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-pyridin-3-yl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-pyrimidin-5-yl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-3-(2-fluorophenyl)-2,6,9a-trimethyl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one has a molecular weight of 2444.18 g/mol, XLogP of 23.12, 7 rotatable bonds, 0 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for (5aS,6S,9aS)-2,3,6,9a-tetramethyl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-(2-methyltetrazol-5-yl)-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-phenyl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-pyridin-3-yl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-pyrimidin-5-yl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-3-(2-fluorophenyl)-2,6,9a-trimethyl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one is sourced from PubChem (CID 167592658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).