3-cyclopropyl-4-methyl-4-phenylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-7,1'-cyclohexane]-5-one;3-cyclopropyl-4,7,7-trimethyl-4-pyridin-3-yl-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;4,7,7-trimethyl-4-(3-methylphenyl)-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-[(4S)-4,7,7-trimethyl-5-oxo-1,6,8,9-tetrahydrobenzo[f]indazol-4-yl]benzonitrile;3-(4,7,7-trimethyl-5-oxo-1,6,8,9-tetrahydrobenzo[f]indazol-4-yl)benzonitrile

C216H240FN23O10 — CID 158447081

IUPAC3-cyclopropyl-4-methyl-4-phenylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-7,1'-cyclohexane]-5-one;3-cyclopropyl-4,7,7-trimethyl-4-pyridin-3-yl-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;4,7,7-trimethyl-4-(3-methylphenyl)-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-[(4S)-4,7,7-trimethyl-5-oxo-1,6,8,9-tetrahydrobenzo[f]indazol-4-yl]benzonitrile;3-(4,7,7-trimethyl-5-oxo-1,6,8,9-tetrahydrobenzo[f]indazol-4-yl)benzonitrile
SMILESCC1(C)CC(=O)C2=C(Cc3[nH]nc(C4CC4)c3C2(C)c2cccnc2)C1.CC1(C)CC(=O)C2=C(Cc3[nH]ncc3C2(C)c2cccc(C#N)c2)C1.CC1(C)CC(=O)C2=C(Cc3[nH]ncc3[C@]2(C)c2cccc(C#N)c2)C1.CC1(c2ccccc2)C2=C(Cc3[nH]nc(C4CC4)c31)CC1(CCCCC1)CC2=O.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.Cc1cccc(C2(C)C3=C(Cc4[nH]nc(F)c42)CC(C)(C)CC3=O)c1.Cc1cccc(C2(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.Cc1cccc([C@]2(C)C3=C(Cc4[nH]ncc42)CC(C)(C)CC3=O)c1
InChIInChI=1S/C26H30N2O.C22H25N3O.C21H23FN2O.2C21H21N3O.5C21H24N2O/c1-25(19-8-4-2-5-9-19)22-18(14-20-23(25)24(28-27-20)17-10-11-17)15-26(16-21(22)29)12-6-3-7-13-26;1-21(2)10-14-9-16-19(20(25-24-16)13-6-7-13)22(3,18(14)17(26)11-21)15-5-4-8-23-12-15;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;3*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;2*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/h2,4-5,8-9,17H,3,6-7,10-16H2,1H3,(H,27,28);4-5,8,12-13H,6-7,9-11H2,1-3H3,(H,24,25);5-8H,9-11H2,1-4H3,(H,23,24);2*4-7,12H,8-10H2,1-3H3,(H,23,24);3*5-8,12H,9-11H2,1-4H3,(H,22,23);2*5-9,13H,4,10-12H2,1-3H3,(H,22,23)/t;;;21-;;2*21-;;21-;/m...0.10.0./s1
InChIKeyHDNGFNNUTURZNF-VESBSGAMSA-N
MW3337.44 g/mol
LogP43.55
Rot. Bonds14

About 3-cyclopropyl-4-methyl-4-phenylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-7,1'-cyclohexane]-5-one;3-cyclopropyl-4,7,7-trimethyl-4-pyridin-3-yl-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;4,7,7-trimethyl-4-(3-methylphenyl)-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-[(4S)-4,7,7-trimethyl-5-oxo-1,6,8,9-tetrahydrobenzo[f]indazol-4-yl]benzonitrile;3-(4,7,7-trimethyl-5-oxo-1,6,8,9-tetrahydrobenzo[f]indazol-4-yl)benzonitrile

3-cyclopropyl-4-methyl-4-phenylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-7,1'-cyclohexane]-5-one;3-cyclopropyl-4,7,7-trimethyl-4-pyridin-3-yl-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;4,7,7-trimethyl-4-(3-methylphenyl)-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-[(4S)-4,7,7-trimethyl-5-oxo-1,6,8,9-tetrahydrobenzo[f]indazol-4-yl]benzonitrile;3-(4,7,7-trimethyl-5-oxo-1,6,8,9-tetrahydrobenzo[f]indazol-4-yl)benzonitrile (PubChem CID 158447081) has the molecular formula C216H240FN23O10 and a molecular weight of 3337.44 g/mol. Its IUPAC name is 3-cyclopropyl-4-methyl-4-phenylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-7,1'-cyclohexane]-5-one;3-cyclopropyl-4,7,7-trimethyl-4-pyridin-3-yl-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;4,7,7-trimethyl-4-(3-methylphenyl)-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-[(4S)-4,7,7-trimethyl-5-oxo-1,6,8,9-tetrahydrobenzo[f]indazol-4-yl]benzonitrile;3-(4,7,7-trimethyl-5-oxo-1,6,8,9-tetrahydrobenzo[f]indazol-4-yl)benzonitrile.

Molecular Properties

Compound Name3-cyclopropyl-4-methyl-4-phenylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-7,1'-cyclohexane]-5-one;3-cyclopropyl-4,7,7-trimethyl-4-pyridin-3-yl-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;4,7,7-trimethyl-4-(3-methylphenyl)-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-[(4S)-4,7,7-trimethyl-5-oxo-1,6,8,9-tetrahydrobenzo[f]indazol-4-yl]benzonitrile;3-(4,7,7-trimethyl-5-oxo-1,6,8,9-tetrahydrobenzo[f]indazol-4-yl)benzonitrile
PubChem CID158447081
Molecular FormulaC216H240FN23O10
Molecular Weight3337.44 g/mol
Exact Mass3334.90
IUPAC Name3-cyclopropyl-4-methyl-4-phenylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-7,1'-cyclohexane]-5-one;3-cyclopropyl-4,7,7-trimethyl-4-pyridin-3-yl-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;4,7,7-trimethyl-4-(3-methylphenyl)-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-[(4S)-4,7,7-trimethyl-5-oxo-1,6,8,9-tetrahydrobenzo[f]indazol-4-yl]benzonitrile;3-(4,7,7-trimethyl-5-oxo-1,6,8,9-tetrahydrobenzo[f]indazol-4-yl)benzonitrile
SMILESCC1(C)CC(=O)C2=C(Cc3[nH]nc(C4CC4)c3C2(C)c2cccnc2)C1.CC1(C)CC(=O)C2=C(Cc3[nH]ncc3C2(C)c2cccc(C#N)c2)C1.CC1(C)CC(=O)C2=C(Cc3[nH]ncc3[C@]2(C)c2cccc(C#N)c2)C1.CC1(c2ccccc2)C2=C(Cc3[nH]nc(C4CC4)c31)CC1(CCCCC1)CC2=O.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.Cc1cccc(C2(C)C3=C(Cc4[nH]nc(F)c42)CC(C)(C)CC3=O)c1.Cc1cccc(C2(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.Cc1cccc([C@]2(C)C3=C(Cc4[nH]ncc42)CC(C)(C)CC3=O)c1
InChIInChI=1S/C26H30N2O.C22H25N3O.C21H23FN2O.2C21H21N3O.5C21H24N2O/c1-25(19-8-4-2-5-9-19)22-18(14-20-23(25)24(28-27-20)17-10-11-17)15-26(16-21(22)29)12-6-3-7-13-26;1-21(2)10-14-9-16-19(20(25-24-16)13-6-7-13)22(3,18(14)17(26)11-21)15-5-4-8-23-12-15;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;3*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;2*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/h2,4-5,8-9,17H,3,6-7,10-16H2,1H3,(H,27,28);4-5,8,12-13H,6-7,9-11H2,1-3H3,(H,24,25);5-8H,9-11H2,1-4H3,(H,23,24);2*4-7,12H,8-10H2,1-3H3,(H,23,24);3*5-8,12H,9-11H2,1-4H3,(H,22,23);2*5-9,13H,4,10-12H2,1-3H3,(H,22,23)/t;;;21-;;2*21-;;21-;/m...0.10.0./s1
InChIKeyHDNGFNNUTURZNF-VESBSGAMSA-N
XLogP43.55
TPSA517.97 Ų
H-Bond Donors10
H-Bond Acceptors23
Rotatable Bonds14
Heavy Atoms250
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003337.44
LogP ≤ 543.55
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1023

Analyze 3-cyclopropyl-4-methyl-4-phenylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-7,1'-cyclohexane]-5-one;3-cyclopropyl-4,7,7-trimethyl-4-pyridin-3-yl-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;4,7,7-trimethyl-4-(3-methylphenyl)-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-[(4S)-4,7,7-trimethyl-5-oxo-1,6,8,9-tetrahydrobenzo[f]indazol-4-yl]benzonitrile;3-(4,7,7-trimethyl-5-oxo-1,6,8,9-tetrahydrobenzo[f]indazol-4-yl)benzonitrile with MolForge

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Related Compounds

4-(2,5-difluorophenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;4-(2,6-difluorophenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;4-(3-fluoro-2-methylphenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;4-(4-fluoro-2-methylphenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;bis(4-(5-fluoro-2-methylphenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one);4-(2-fluorophenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;3,4,7,7-tetramethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;3,7,7-trimethyl-4-(2-methylphenyl)-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;3,7,7-trimethyl-4-[4-(trifluoromethyl)-3-pyridinyl]-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one
CID 157468909
CID 157476583
CID 157476583
CID 157480948
CID 157480948
4-(3-fluoro-2-methylphenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;4-(4-fluoro-2-methylphenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;4-(5-fluoro-2-methylphenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;3,4,7,7-tetramethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;3,7,7-trimethyl-4-(2-methylphenyl)-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;3,7,7-trimethyl-4-[4-(trifluoromethyl)-3-pyridinyl]-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one
CID 157984172
4-(2,5-difluorophenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;4-(2,6-difluorophenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;4-(3-fluoro-2-methylphenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;4-(4-fluoro-2-methylphenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;bis(4-(5-fluoro-2-methylphenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one);4-(2-fluorophenyl)-3,4,7,7-tetramethyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;bis(3,4,7,7-tetramethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one);3,7,7-trimethyl-4-(2-methylphenyl)-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;3,7,7-trimethyl-4-phenyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;3,7,7-trimethyl-4-[4-(trifluoromethyl)-3-pyridinyl]-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one
CID 158021843
4-(2-fluorophenyl)-3,4,7,7-tetramethyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;bis(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;3,7,7-trimethyl-4-phenyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;3,7,7-trimethyl-4-[4-(trifluoromethyl)-3-pyridinyl]-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one
CID 158682664
4-deuterio-3,7,7-trimethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;4-(2-fluorophenyl)-3,4,7,7-tetramethyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;bis(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;3,7,7-trimethyl-4-[4-(trifluoromethyl)-3-pyridinyl]-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one
CID 158682665
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
3-Cyclohexyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-cyclopropyl-4-methyl-4-phenylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-7,1'-cyclohexane]-5-one;3-cyclopropyl-4,7,7-trimethyl-4-pyridin-3-yl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-(3,3-difluorocyclobutyl)-4,7,7-trimethyl-4-(3-methylphenyl)-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-[3-(3,3-difluorocyclobutyl)-4,7,7-trimethyl-5-oxo-1,6,8,9-tetrahydrobenzo[f]indazol-4-yl]benzonitrile;3,4,7,7-tetramethyl-4-(2-methylphenyl)-2,6,8,9-tetrahydrobenzo[f]indazol-5-one
CID 159275170
4-(3-fluoro-2-methylphenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;4-(4-fluoro-2-methylphenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;bis(4-(5-fluoro-2-methylphenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one);3,7,7-trimethyl-4-(2-methylphenyl)-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;3,7,7-trimethyl-4-[4-(trifluoromethyl)-3-pyridinyl]-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one
CID 159360823
3-Cyclopropyl-4-methyl-4-phenylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-7,1'-cyclohexane]-5-one;3-cyclopropyl-4,7,7-trimethyl-4-pyridin-3-yl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-(3,3-difluorocyclobutyl)-4,7,7-trimethyl-4-(3-methylphenyl)-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-[3-(3,3-difluorocyclobutyl)-4,7,7-trimethyl-5-oxo-1,6,8,9-tetrahydrobenzo[f]indazol-4-yl]benzonitrile;methane;3,4,7,7-tetramethyl-4-(2-methylphenyl)-2,6,8,9-tetrahydrobenzo[f]indazol-5-one
CID 161318608
4-(2,5-difluorophenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;4-(2,6-difluorophenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;4-(3-fluoro-2-methylphenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;4-(4-fluoro-2-methylphenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;bis(4-(5-fluoro-2-methylphenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one);4-(2-fluorophenyl)-3,4,7,7-tetramethyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;4-(2-fluorophenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;bis(3,4,7,7-tetramethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one);3,7,7-trimethyl-4-(2-methylphenyl)-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;3,7,7-trimethyl-4-[4-(trifluoromethyl)-3-pyridinyl]-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one
CID 161889681

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-4-methyl-4-phenylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-7,1'-cyclohexane]-5-one;3-cyclopropyl-4,7,7-trimethyl-4-pyridin-3-yl-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;4,7,7-trimethyl-4-(3-methylphenyl)-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-[(4S)-4,7,7-trimethyl-5-oxo-1,6,8,9-tetrahydrobenzo[f]indazol-4-yl]benzonitrile;3-(4,7,7-trimethyl-5-oxo-1,6,8,9-tetrahydrobenzo[f]indazol-4-yl)benzonitrile?
The IUPAC name of 3-cyclopropyl-4-methyl-4-phenylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-7,1'-cyclohexane]-5-one;3-cyclopropyl-4,7,7-trimethyl-4-pyridin-3-yl-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;4,7,7-trimethyl-4-(3-methylphenyl)-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-[(4S)-4,7,7-trimethyl-5-oxo-1,6,8,9-tetrahydrobenzo[f]indazol-4-yl]benzonitrile;3-(4,7,7-trimethyl-5-oxo-1,6,8,9-tetrahydrobenzo[f]indazol-4-yl)benzonitrile (CID 158447081) is 3-cyclopropyl-4-methyl-4-phenylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-7,1'-cyclohexane]-5-one;3-cyclopropyl-4,7,7-trimethyl-4-pyridin-3-yl-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;4,7,7-trimethyl-4-(3-methylphenyl)-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-[(4S)-4,7,7-trimethyl-5-oxo-1,6,8,9-tetrahydrobenzo[f]indazol-4-yl]benzonitrile;3-(4,7,7-trimethyl-5-oxo-1,6,8,9-tetrahydrobenzo[f]indazol-4-yl)benzonitrile.
What is the SMILES notation for 3-cyclopropyl-4-methyl-4-phenylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-7,1'-cyclohexane]-5-one;3-cyclopropyl-4,7,7-trimethyl-4-pyridin-3-yl-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;4,7,7-trimethyl-4-(3-methylphenyl)-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-[(4S)-4,7,7-trimethyl-5-oxo-1,6,8,9-tetrahydrobenzo[f]indazol-4-yl]benzonitrile;3-(4,7,7-trimethyl-5-oxo-1,6,8,9-tetrahydrobenzo[f]indazol-4-yl)benzonitrile?
The canonical SMILES for 3-cyclopropyl-4-methyl-4-phenylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-7,1'-cyclohexane]-5-one;3-cyclopropyl-4,7,7-trimethyl-4-pyridin-3-yl-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;4,7,7-trimethyl-4-(3-methylphenyl)-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-[(4S)-4,7,7-trimethyl-5-oxo-1,6,8,9-tetrahydrobenzo[f]indazol-4-yl]benzonitrile;3-(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]nc(C4CC4)c3C2(C)c2cccnc2)C1.CC1(C)CC(=O)C2=C(Cc3[nH]ncc3C2(C)c2cccc(C#N)c2)C1.CC1(C)CC(=O)C2=C(Cc3[nH]ncc3[C@]2(C)c2cccc(C#N)c2)C1.CC1(c2ccccc2)C2=C(Cc3[nH]nc(C4CC4)c31)CC1(CCCCC1)CC2=O.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.Cc1cccc(C2(C)C3=C(Cc4[nH]nc(F)c42)CC(C)(C)CC3=O)c1.Cc1cccc(C2(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.Cc1cccc([C@]2(C)C3=C(Cc4[nH]ncc42)CC(C)(C)CC3=O)c1.
What is the InChIKey of 3-cyclopropyl-4-methyl-4-phenylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-7,1'-cyclohexane]-5-one;3-cyclopropyl-4,7,7-trimethyl-4-pyridin-3-yl-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;4,7,7-trimethyl-4-(3-methylphenyl)-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-[(4S)-4,7,7-trimethyl-5-oxo-1,6,8,9-tetrahydrobenzo[f]indazol-4-yl]benzonitrile;3-(4,7,7-trimethyl-5-oxo-1,6,8,9-tetrahydrobenzo[f]indazol-4-yl)benzonitrile?
The InChIKey is HDNGFNNUTURZNF-VESBSGAMSA-N. The full InChI is InChI=1S/C26H30N2O.C22H25N3O.C21H23FN2O.2C21H21N3O.5C21H24N2O/c1-25(19-8-4-2-5-9-19)22-18(14-20-23(25)24(28-27-20)17-10-11-17)15-26(16-21(22)29)12-6-3-7-13-26;1-21(2)10-14-9-16-19(20(25-24-16)13-6-7-13)22(3,18(14)17(26)11-21)15-5-4-8-23-12-15;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;3*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;2*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/h2,4-5,8-9,17H,3,6-7,10-16H2,1H3,(H,27,28);4-5,8,12-13H,6-7,9-11H2,1-3H3,(H,24,25);5-8H,9-11H2,1-4H3,(H,23,24);2*4-7,12H,8-10H2,1-3H3,(H,23,24);3*5-8,12H,9-11H2,1-4H3,(H,22,23);2*5-9,13H,4,10-12H2,1-3H3,(H,22,23)/t;;;21-;;2*21-;;21-;/m...0.10.0./s1.
What are the key properties of 3-cyclopropyl-4-methyl-4-phenylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-7,1'-cyclohexane]-5-one;3-cyclopropyl-4,7,7-trimethyl-4-pyridin-3-yl-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;4,7,7-trimethyl-4-(3-methylphenyl)-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-[(4S)-4,7,7-trimethyl-5-oxo-1,6,8,9-tetrahydrobenzo[f]indazol-4-yl]benzonitrile;3-(4,7,7-trimethyl-5-oxo-1,6,8,9-tetrahydrobenzo[f]indazol-4-yl)benzonitrile?
3-cyclopropyl-4-methyl-4-phenylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-7,1'-cyclohexane]-5-one;3-cyclopropyl-4,7,7-trimethyl-4-pyridin-3-yl-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;4,7,7-trimethyl-4-(3-methylphenyl)-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-[(4S)-4,7,7-trimethyl-5-oxo-1,6,8,9-tetrahydrobenzo[f]indazol-4-yl]benzonitrile;3-(4,7,7-trimethyl-5-oxo-1,6,8,9-tetrahydrobenzo[f]indazol-4-yl)benzonitrile has a molecular weight of 3337.44 g/mol, XLogP of 43.55, 14 rotatable bonds, 10 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-4-methyl-4-phenylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-7,1'-cyclohexane]-5-one;3-cyclopropyl-4,7,7-trimethyl-4-pyridin-3-yl-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;4,7,7-trimethyl-4-(3-methylphenyl)-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-[(4S)-4,7,7-trimethyl-5-oxo-1,6,8,9-tetrahydrobenzo[f]indazol-4-yl]benzonitrile;3-(4,7,7-trimethyl-5-oxo-1,6,8,9-tetrahydrobenzo[f]indazol-4-yl)benzonitrile is sourced from PubChem (CID 158447081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).