3-(3,3-difluorocyclobutyl)-4,7,7-trimethyl-4-(3-methylphenyl)-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-4-ethyl-7,7-dimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-4-ethyl-7,7-dimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;4-ethyl-7,7-dimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-fluoro-4,7,7-trimethyl-4-(3-methylphenyl)-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-4,7,7-trimethyl-4-(3-methylphenyl)-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-4,7,7-trimethyl-4-(3-methylphenyl)-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-[(4R)-4,7,7-trimethyl-5-oxo-1,6,8,9-tetrahydrobenzo[f]indazol-4-yl]benzonitrile;3-[(4S)-4,7,7-trimethyl-5-oxo-1,6,8,9-tetrahydrobenzo[f]indazol-4-yl]benzonitrile

C193H213F3N20O9 — CID 158738425

IUPAC3-(3,3-difluorocyclobutyl)-4,7,7-trimethyl-4-(3-methylphenyl)-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-4-ethyl-7,7-dimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-4-ethyl-7,7-dimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;4-ethyl-7,7-dimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-fluoro-4,7,7-trimethyl-4-(3-methylphenyl)-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-4,7,7-trimethyl-4-(3-methylphenyl)-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-4,7,7-trimethyl-4-(3-methylphenyl)-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-[(4R)-4,7,7-trimethyl-5-oxo-1,6,8,9-tetrahydrobenzo[f]indazol-4-yl]benzonitrile;3-[(4S)-4,7,7-trimethyl-5-oxo-1,6,8,9-tetrahydrobenzo[f]indazol-4-yl]benzonitrile
SMILESCC1(C)CC(=O)C2=C(Cc3[nH]ncc3[C@@]2(C)c2cccc(C#N)c2)C1.CC1(C)CC(=O)C2=C(Cc3[nH]ncc3[C@]2(C)c2cccc(C#N)c2)C1.CCC1(c2ccccc2)C2=C(Cc3[nH]ncc31)CC(C)(C)CC2=O.CC[C@@]1(c2ccccc2)C2=C(Cc3[nH]ncc31)CC(C)(C)CC2=O.CC[C@]1(c2ccccc2)C2=C(Cc3[nH]ncc31)CC(C)(C)CC2=O.Cc1cccc(C2(C)C3=C(Cc4[nH]nc(C5CC(F)(F)C5)c42)CC(C)(C)CC3=O)c1.Cc1cccc(C2(C)C3=C(Cc4[nH]nc(F)c42)CC(C)(C)CC3=O)c1.Cc1cccc([C@@]2(C)C3=C(Cc4[nH]ncc42)CC(C)(C)CC3=O)c1.Cc1cccc([C@]2(C)C3=C(Cc4[nH]ncc42)CC(C)(C)CC3=O)c1
InChIInChI=1S/C25H28F2N2O.C21H23FN2O.2C21H21N3O.5C21H24N2O/c1-14-6-5-7-17(8-14)24(4)20-15(10-23(2,3)13-19(20)30)9-18-21(24)22(29-28-18)16-11-25(26,27)12-16;1-12-6-5-7-14(8-12)21(4)17-13(10-20(2,3)11-16(17)25)9-15-18(21)19(22)24-23-15;2*1-20(2)9-14-8-17-16(12-23-24-17)21(3,19(14)18(25)10-20)15-6-4-5-13(7-15)11-22;2*1-13-6-5-7-15(8-13)21(4)16-12-22-23-17(16)9-14-10-20(2,3)11-18(24)19(14)21;3*1-4-21(15-8-6-5-7-9-15)16-13-22-23-17(16)10-14-11-20(2,3)12-18(24)19(14)21/h5-8,16H,9-13H2,1-4H3,(H,28,29);5-8H,9-11H2,1-4H3,(H,23,24);2*4-7,12H,8-10H2,1-3H3,(H,23,24);2*5-8,12H,9-11H2,1-4H3,(H,22,23);3*5-9,13H,4,10-12H2,1-3H3,(H,22,23)/t;;6*21-;/m..101010./s1
InChIKeyILZBSDQZCCHMSP-VMPDWVSOSA-N
MW3013.95 g/mol
LogP39.42
Rot. Bonds13

About 3-(3,3-difluorocyclobutyl)-4,7,7-trimethyl-4-(3-methylphenyl)-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-4-ethyl-7,7-dimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-4-ethyl-7,7-dimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;4-ethyl-7,7-dimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-fluoro-4,7,7-trimethyl-4-(3-methylphenyl)-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-4,7,7-trimethyl-4-(3-methylphenyl)-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-4,7,7-trimethyl-4-(3-methylphenyl)-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-[(4R)-4,7,7-trimethyl-5-oxo-1,6,8,9-tetrahydrobenzo[f]indazol-4-yl]benzonitrile;3-[(4S)-4,7,7-trimethyl-5-oxo-1,6,8,9-tetrahydrobenzo[f]indazol-4-yl]benzonitrile

3-(3,3-difluorocyclobutyl)-4,7,7-trimethyl-4-(3-methylphenyl)-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-4-ethyl-7,7-dimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-4-ethyl-7,7-dimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;4-ethyl-7,7-dimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-fluoro-4,7,7-trimethyl-4-(3-methylphenyl)-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-4,7,7-trimethyl-4-(3-methylphenyl)-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-4,7,7-trimethyl-4-(3-methylphenyl)-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-[(4R)-4,7,7-trimethyl-5-oxo-1,6,8,9-tetrahydrobenzo[f]indazol-4-yl]benzonitrile;3-[(4S)-4,7,7-trimethyl-5-oxo-1,6,8,9-tetrahydrobenzo[f]indazol-4-yl]benzonitrile (PubChem CID 158738425) has the molecular formula C193H213F3N20O9 and a molecular weight of 3013.95 g/mol. Its IUPAC name is 3-(3,3-difluorocyclobutyl)-4,7,7-trimethyl-4-(3-methylphenyl)-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-4-ethyl-7,7-dimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-4-ethyl-7,7-dimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;4-ethyl-7,7-dimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-fluoro-4,7,7-trimethyl-4-(3-methylphenyl)-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-4,7,7-trimethyl-4-(3-methylphenyl)-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-4,7,7-trimethyl-4-(3-methylphenyl)-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-[(4R)-4,7,7-trimethyl-5-oxo-1,6,8,9-tetrahydrobenzo[f]indazol-4-yl]benzonitrile;3-[(4S)-4,7,7-trimethyl-5-oxo-1,6,8,9-tetrahydrobenzo[f]indazol-4-yl]benzonitrile.

Molecular Properties

Compound Name3-(3,3-difluorocyclobutyl)-4,7,7-trimethyl-4-(3-methylphenyl)-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-4-ethyl-7,7-dimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-4-ethyl-7,7-dimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;4-ethyl-7,7-dimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-fluoro-4,7,7-trimethyl-4-(3-methylphenyl)-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-4,7,7-trimethyl-4-(3-methylphenyl)-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-4,7,7-trimethyl-4-(3-methylphenyl)-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-[(4R)-4,7,7-trimethyl-5-oxo-1,6,8,9-tetrahydrobenzo[f]indazol-4-yl]benzonitrile;3-[(4S)-4,7,7-trimethyl-5-oxo-1,6,8,9-tetrahydrobenzo[f]indazol-4-yl]benzonitrile
PubChem CID158738425
Molecular FormulaC193H213F3N20O9
Molecular Weight3013.95 g/mol
Exact Mass3011.68
IUPAC Name3-(3,3-difluorocyclobutyl)-4,7,7-trimethyl-4-(3-methylphenyl)-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-4-ethyl-7,7-dimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-4-ethyl-7,7-dimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;4-ethyl-7,7-dimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-fluoro-4,7,7-trimethyl-4-(3-methylphenyl)-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-4,7,7-trimethyl-4-(3-methylphenyl)-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-4,7,7-trimethyl-4-(3-methylphenyl)-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-[(4R)-4,7,7-trimethyl-5-oxo-1,6,8,9-tetrahydrobenzo[f]indazol-4-yl]benzonitrile;3-[(4S)-4,7,7-trimethyl-5-oxo-1,6,8,9-tetrahydrobenzo[f]indazol-4-yl]benzonitrile
SMILESCC1(C)CC(=O)C2=C(Cc3[nH]ncc3[C@@]2(C)c2cccc(C#N)c2)C1.CC1(C)CC(=O)C2=C(Cc3[nH]ncc3[C@]2(C)c2cccc(C#N)c2)C1.CCC1(c2ccccc2)C2=C(Cc3[nH]ncc31)CC(C)(C)CC2=O.CC[C@@]1(c2ccccc2)C2=C(Cc3[nH]ncc31)CC(C)(C)CC2=O.CC[C@]1(c2ccccc2)C2=C(Cc3[nH]ncc31)CC(C)(C)CC2=O.Cc1cccc(C2(C)C3=C(Cc4[nH]nc(C5CC(F)(F)C5)c42)CC(C)(C)CC3=O)c1.Cc1cccc(C2(C)C3=C(Cc4[nH]nc(F)c42)CC(C)(C)CC3=O)c1.Cc1cccc([C@@]2(C)C3=C(Cc4[nH]ncc42)CC(C)(C)CC3=O)c1.Cc1cccc([C@]2(C)C3=C(Cc4[nH]ncc42)CC(C)(C)CC3=O)c1
InChIInChI=1S/C25H28F2N2O.C21H23FN2O.2C21H21N3O.5C21H24N2O/c1-14-6-5-7-17(8-14)24(4)20-15(10-23(2,3)13-19(20)30)9-18-21(24)22(29-28-18)16-11-25(26,27)12-16;1-12-6-5-7-14(8-12)21(4)17-13(10-20(2,3)11-16(17)25)9-15-18(21)19(22)24-23-15;2*1-20(2)9-14-8-17-16(12-23-24-17)21(3,19(14)18(25)10-20)15-6-4-5-13(7-15)11-22;2*1-13-6-5-7-15(8-13)21(4)16-12-22-23-17(16)9-14-10-20(2,3)11-18(24)19(14)21;3*1-4-21(15-8-6-5-7-9-15)16-13-22-23-17(16)10-14-11-20(2,3)12-18(24)19(14)21/h5-8,16H,9-13H2,1-4H3,(H,28,29);5-8H,9-11H2,1-4H3,(H,23,24);2*4-7,12H,8-10H2,1-3H3,(H,23,24);2*5-8,12H,9-11H2,1-4H3,(H,22,23);3*5-9,13H,4,10-12H2,1-3H3,(H,22,23)/t;;6*21-;/m..101010./s1
InChIKeyILZBSDQZCCHMSP-VMPDWVSOSA-N
XLogP39.42
TPSA459.33 Ų
H-Bond Donors9
H-Bond Acceptors20
Rotatable Bonds13
Heavy Atoms225
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003013.95
LogP ≤ 539.42
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1020

Analyze 3-(3,3-difluorocyclobutyl)-4,7,7-trimethyl-4-(3-methylphenyl)-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-4-ethyl-7,7-dimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-4-ethyl-7,7-dimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;4-ethyl-7,7-dimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-fluoro-4,7,7-trimethyl-4-(3-methylphenyl)-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-4,7,7-trimethyl-4-(3-methylphenyl)-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-4,7,7-trimethyl-4-(3-methylphenyl)-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-[(4R)-4,7,7-trimethyl-5-oxo-1,6,8,9-tetrahydrobenzo[f]indazol-4-yl]benzonitrile;3-[(4S)-4,7,7-trimethyl-5-oxo-1,6,8,9-tetrahydrobenzo[f]indazol-4-yl]benzonitrile with MolForge

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Launch Full Analysis

Related Compounds

3-tert-butyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-[(4R)-3-cyclopropyl-4,7,7-trimethyl-5-oxo-1,6,8,9-tetrahydrobenzo[f]indazol-4-yl]benzonitrile;3-[(4S)-3-cyclopropyl-4,7,7-trimethyl-5-oxo-1,6,8,9-tetrahydrobenzo[f]indazol-4-yl]benzonitrile;(4R)-3-cyclopropyl-4,7,7-trimethyl-4-[3-(trifluoromethyl)phenyl]-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;4,7,7-trimethyl-4-phenyl-3-propan-2-yl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one
CID 157193913
3-Cyclobutyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-cyclopropyl-4-(2-fluorophenyl)-4,7,7-trimethyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-(3-cyclopropyl-4,7,7-trimethyl-5-oxo-1,6,8,9-tetrahydrobenzo[f]indazol-4-yl)benzonitrile;3-cyclopropyl-4,7,7-trimethyl-4-[3-(trifluoromethyl)phenyl]-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-(3,3-difluorocyclobutyl)-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;4,7,7-trimethyl-3,4-diphenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one
CID 157286543
3-cyclobutyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-cyclopropyl-4-(2-fluorophenyl)-4,7,7-trimethyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-(3-cyclopropyl-4,7,7-trimethyl-5-oxo-1,6,8,9-tetrahydrobenzo[f]indazol-4-yl)benzonitrile;(4R)-3-cyclopropyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-cyclopropyl-4,7,7-trimethyl-4-[3-(trifluoromethyl)phenyl]-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-(3,3-difluorocyclobutyl)-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one
CID 157343720
4-benzyl-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;3-cyclobutyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-(3,3-difluorocyclobutyl)-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-3,4,7,7-tetramethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-3,4,7,7-tetramethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;4,7,7-trimethyl-3,4-diphenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one
CID 157575813
(4S)-3-(3,3-difluorocyclobutyl)-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-4-ethyl-3,7,7-trimethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-4-ethyl-3,7,7-trimethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-3,4,7,7-tetramethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-3,4,7,7-tetramethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;4,7,7-trimethyl-3,4-diphenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one
CID 157722161
3-[3-(3,3-difluorocyclobutyl)-4,7,7-trimethyl-5-oxo-1,6,8,9-tetrahydrobenzo[f]indazol-4-yl]benzonitrile;3-(3,3-difluorocyclobutyl)-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-4-ethyl-7,7-dimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-(3-fluoro-4,7,7-trimethyl-5-oxo-1,6,8,9-tetrahydrobenzo[f]indazol-4-yl)benzonitrile;3-[(4R)-4,7,7-trimethyl-5-oxo-1,6,8,9-tetrahydrobenzo[f]indazol-4-yl]benzonitrile
CID 157746634
4-(3-tert-butylphenyl)-4-ethyl-7,7-dimethyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-4-(3-tert-butylphenyl)-4-ethyl-7,7-dimethyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-4-(3-tert-butylphenyl)-4-ethyl-7,7-dimethyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-7,7-dimethyl-4-phenyl-4-propyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;7,7-dimethyl-4-phenyl-4-propyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-4-ethyl-7,7-dimethyl-4-[3-(trifluoromethyl)phenyl]-1,6,8,9-tetrahydrobenzo[f]indazol-5-one
CID 157917343
(4R)-3-(3,3-difluorocyclobutyl)-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-3-(3,3-difluorocyclobutyl)-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-4-ethyl-3,7,7-trimethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-4-ethyl-3,7,7-trimethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-3,4,7,7-tetramethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-3,4,7,7-tetramethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one
CID 157981479
4-(2-chlorophenyl)-3-cyclopropyl-4,7,7-trimethyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-[(4R)-3-cyclopropyl-4,7,7-trimethyl-5-oxo-1,6,8,9-tetrahydrobenzo[f]indazol-4-yl]benzonitrile;3-[(4S)-3-cyclopropyl-4,7,7-trimethyl-5-oxo-1,6,8,9-tetrahydrobenzo[f]indazol-4-yl]benzonitrile;(4R)-3-cyclopropyl-4,7,7-trimethyl-4-[3-(trifluoromethyl)phenyl]-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-3-cyclopropyl-4,7,7-trimethyl-4-[3-(trifluoromethyl)phenyl]-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-3-(3,3-difluorocyclobutyl)-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one
CID 157988166
CID 158061013
CID 158061013
4-(3-isocyanophenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;(4R)-4-(2-isocyanophenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;3,7,7-trimethyl-4-(3-methylphenyl)-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;(4R)-3,7,7-trimethyl-4-(2-methylphenyl)-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;4-(3,7,7-trimethyl-5-oxo-4,6,8,9-tetrahydro-2H-benzo[f]indazol-4-yl)benzonitrile;3,7,7-trimethyl-4-[4-(trifluoromethyl)phenyl]-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one
CID 158205441
4-(2-isocyanophenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;4-(3-isocyanophenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;3,7,7-trimethyl-4-(3-methylphenyl)-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;(4R)-3,7,7-trimethyl-4-(2-methylphenyl)-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;4-(3,7,7-trimethyl-5-oxo-4,6,8,9-tetrahydro-2H-benzo[f]indazol-4-yl)benzonitrile;3,7,7-trimethyl-4-[4-(trifluoromethyl)phenyl]-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one
CID 158205444

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-difluorocyclobutyl)-4,7,7-trimethyl-4-(3-methylphenyl)-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-4-ethyl-7,7-dimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-4-ethyl-7,7-dimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;4-ethyl-7,7-dimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-fluoro-4,7,7-trimethyl-4-(3-methylphenyl)-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-4,7,7-trimethyl-4-(3-methylphenyl)-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-4,7,7-trimethyl-4-(3-methylphenyl)-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-[(4R)-4,7,7-trimethyl-5-oxo-1,6,8,9-tetrahydrobenzo[f]indazol-4-yl]benzonitrile;3-[(4S)-4,7,7-trimethyl-5-oxo-1,6,8,9-tetrahydrobenzo[f]indazol-4-yl]benzonitrile?
The IUPAC name of 3-(3,3-difluorocyclobutyl)-4,7,7-trimethyl-4-(3-methylphenyl)-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-4-ethyl-7,7-dimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-4-ethyl-7,7-dimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;4-ethyl-7,7-dimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-fluoro-4,7,7-trimethyl-4-(3-methylphenyl)-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-4,7,7-trimethyl-4-(3-methylphenyl)-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-4,7,7-trimethyl-4-(3-methylphenyl)-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-[(4R)-4,7,7-trimethyl-5-oxo-1,6,8,9-tetrahydrobenzo[f]indazol-4-yl]benzonitrile;3-[(4S)-4,7,7-trimethyl-5-oxo-1,6,8,9-tetrahydrobenzo[f]indazol-4-yl]benzonitrile (CID 158738425) is 3-(3,3-difluorocyclobutyl)-4,7,7-trimethyl-4-(3-methylphenyl)-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-4-ethyl-7,7-dimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-4-ethyl-7,7-dimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;4-ethyl-7,7-dimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-fluoro-4,7,7-trimethyl-4-(3-methylphenyl)-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-4,7,7-trimethyl-4-(3-methylphenyl)-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-4,7,7-trimethyl-4-(3-methylphenyl)-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-[(4R)-4,7,7-trimethyl-5-oxo-1,6,8,9-tetrahydrobenzo[f]indazol-4-yl]benzonitrile;3-[(4S)-4,7,7-trimethyl-5-oxo-1,6,8,9-tetrahydrobenzo[f]indazol-4-yl]benzonitrile.
What is the SMILES notation for 3-(3,3-difluorocyclobutyl)-4,7,7-trimethyl-4-(3-methylphenyl)-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-4-ethyl-7,7-dimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-4-ethyl-7,7-dimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;4-ethyl-7,7-dimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-fluoro-4,7,7-trimethyl-4-(3-methylphenyl)-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-4,7,7-trimethyl-4-(3-methylphenyl)-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-4,7,7-trimethyl-4-(3-methylphenyl)-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-[(4R)-4,7,7-trimethyl-5-oxo-1,6,8,9-tetrahydrobenzo[f]indazol-4-yl]benzonitrile;3-[(4S)-4,7,7-trimethyl-5-oxo-1,6,8,9-tetrahydrobenzo[f]indazol-4-yl]benzonitrile?
The canonical SMILES for 3-(3,3-difluorocyclobutyl)-4,7,7-trimethyl-4-(3-methylphenyl)-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-4-ethyl-7,7-dimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-4-ethyl-7,7-dimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;4-ethyl-7,7-dimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-fluoro-4,7,7-trimethyl-4-(3-methylphenyl)-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-4,7,7-trimethyl-4-(3-methylphenyl)-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-4,7,7-trimethyl-4-(3-methylphenyl)-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-[(4R)-4,7,7-trimethyl-5-oxo-1,6,8,9-tetrahydrobenzo[f]indazol-4-yl]benzonitrile;3-[(4S)-4,7,7-trimethyl-5-oxo-1,6,8,9-tetrahydrobenzo[f]indazol-4-yl]benzonitrile is CC1(C)CC(=O)C2=C(Cc3[nH]ncc3[C@@]2(C)c2cccc(C#N)c2)C1.CC1(C)CC(=O)C2=C(Cc3[nH]ncc3[C@]2(C)c2cccc(C#N)c2)C1.CCC1(c2ccccc2)C2=C(Cc3[nH]ncc31)CC(C)(C)CC2=O.CC[C@@]1(c2ccccc2)C2=C(Cc3[nH]ncc31)CC(C)(C)CC2=O.CC[C@]1(c2ccccc2)C2=C(Cc3[nH]ncc31)CC(C)(C)CC2=O.Cc1cccc(C2(C)C3=C(Cc4[nH]nc(C5CC(F)(F)C5)c42)CC(C)(C)CC3=O)c1.Cc1cccc(C2(C)C3=C(Cc4[nH]nc(F)c42)CC(C)(C)CC3=O)c1.Cc1cccc([C@@]2(C)C3=C(Cc4[nH]ncc42)CC(C)(C)CC3=O)c1.Cc1cccc([C@]2(C)C3=C(Cc4[nH]ncc42)CC(C)(C)CC3=O)c1.
What is the InChIKey of 3-(3,3-difluorocyclobutyl)-4,7,7-trimethyl-4-(3-methylphenyl)-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-4-ethyl-7,7-dimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-4-ethyl-7,7-dimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;4-ethyl-7,7-dimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-fluoro-4,7,7-trimethyl-4-(3-methylphenyl)-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-4,7,7-trimethyl-4-(3-methylphenyl)-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-4,7,7-trimethyl-4-(3-methylphenyl)-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-[(4R)-4,7,7-trimethyl-5-oxo-1,6,8,9-tetrahydrobenzo[f]indazol-4-yl]benzonitrile;3-[(4S)-4,7,7-trimethyl-5-oxo-1,6,8,9-tetrahydrobenzo[f]indazol-4-yl]benzonitrile?
The InChIKey is ILZBSDQZCCHMSP-VMPDWVSOSA-N. The full InChI is InChI=1S/C25H28F2N2O.C21H23FN2O.2C21H21N3O.5C21H24N2O/c1-14-6-5-7-17(8-14)24(4)20-15(10-23(2,3)13-19(20)30)9-18-21(24)22(29-28-18)16-11-25(26,27)12-16;1-12-6-5-7-14(8-12)21(4)17-13(10-20(2,3)11-16(17)25)9-15-18(21)19(22)24-23-15;2*1-20(2)9-14-8-17-16(12-23-24-17)21(3,19(14)18(25)10-20)15-6-4-5-13(7-15)11-22;2*1-13-6-5-7-15(8-13)21(4)16-12-22-23-17(16)9-14-10-20(2,3)11-18(24)19(14)21;3*1-4-21(15-8-6-5-7-9-15)16-13-22-23-17(16)10-14-11-20(2,3)12-18(24)19(14)21/h5-8,16H,9-13H2,1-4H3,(H,28,29);5-8H,9-11H2,1-4H3,(H,23,24);2*4-7,12H,8-10H2,1-3H3,(H,23,24);2*5-8,12H,9-11H2,1-4H3,(H,22,23);3*5-9,13H,4,10-12H2,1-3H3,(H,22,23)/t;;6*21-;/m..101010./s1.
What are the key properties of 3-(3,3-difluorocyclobutyl)-4,7,7-trimethyl-4-(3-methylphenyl)-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-4-ethyl-7,7-dimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-4-ethyl-7,7-dimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;4-ethyl-7,7-dimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-fluoro-4,7,7-trimethyl-4-(3-methylphenyl)-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-4,7,7-trimethyl-4-(3-methylphenyl)-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-4,7,7-trimethyl-4-(3-methylphenyl)-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-[(4R)-4,7,7-trimethyl-5-oxo-1,6,8,9-tetrahydrobenzo[f]indazol-4-yl]benzonitrile;3-[(4S)-4,7,7-trimethyl-5-oxo-1,6,8,9-tetrahydrobenzo[f]indazol-4-yl]benzonitrile?
3-(3,3-difluorocyclobutyl)-4,7,7-trimethyl-4-(3-methylphenyl)-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-4-ethyl-7,7-dimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-4-ethyl-7,7-dimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;4-ethyl-7,7-dimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-fluoro-4,7,7-trimethyl-4-(3-methylphenyl)-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-4,7,7-trimethyl-4-(3-methylphenyl)-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-4,7,7-trimethyl-4-(3-methylphenyl)-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-[(4R)-4,7,7-trimethyl-5-oxo-1,6,8,9-tetrahydrobenzo[f]indazol-4-yl]benzonitrile;3-[(4S)-4,7,7-trimethyl-5-oxo-1,6,8,9-tetrahydrobenzo[f]indazol-4-yl]benzonitrile has a molecular weight of 3013.95 g/mol, XLogP of 39.42, 13 rotatable bonds, 9 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-difluorocyclobutyl)-4,7,7-trimethyl-4-(3-methylphenyl)-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-4-ethyl-7,7-dimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-4-ethyl-7,7-dimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;4-ethyl-7,7-dimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-fluoro-4,7,7-trimethyl-4-(3-methylphenyl)-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-4,7,7-trimethyl-4-(3-methylphenyl)-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-4,7,7-trimethyl-4-(3-methylphenyl)-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-[(4R)-4,7,7-trimethyl-5-oxo-1,6,8,9-tetrahydrobenzo[f]indazol-4-yl]benzonitrile;3-[(4S)-4,7,7-trimethyl-5-oxo-1,6,8,9-tetrahydrobenzo[f]indazol-4-yl]benzonitrile is sourced from PubChem (CID 158738425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).