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;(4S)-3-cyclopropyl-4,7,7-trimethyl-4-[3-(trifluoromethyl)phenyl]-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3,4,7,7-tetramethyl-4-pyridin-3-yl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;4,7,7-trimethyl-4-phenyl-3-propan-2-yl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one

C163H181F6N17O7 — CID 162213837

IUPAC3-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;(4S)-3-cyclopropyl-4,7,7-trimethyl-4-[3-(trifluoromethyl)phenyl]-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3,4,7,7-tetramethyl-4-pyridin-3-yl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;4,7,7-trimethyl-4-phenyl-3-propan-2-yl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one
SMILESCC(C)c1n[nH]c2c1C(C)(c1ccccc1)C1=C(C2)CC(C)(C)CC1=O.CC1(C)CC(=O)C2=C(Cc3[nH]nc(C(C)(C)C)c3C2(C)c2ccccc2)C1.CC1(C)CC(=O)C2=C(Cc3[nH]nc(C4CC4)c3[C@@]2(C)c2cccc(C#N)c2)C1.CC1(C)CC(=O)C2=C(Cc3[nH]nc(C4CC4)c3[C@@]2(C)c2cccc(C(F)(F)F)c2)C1.CC1(C)CC(=O)C2=C(Cc3[nH]nc(C4CC4)c3[C@]2(C)c2cccc(C#N)c2)C1.CC1(C)CC(=O)C2=C(Cc3[nH]nc(C4CC4)c3[C@]2(C)c2cccc(C(F)(F)F)c2)C1.Cc1[nH]nc2c1C(C)(c1cccnc1)C1=C(C2)CC(C)(C)CC1=O
InChIInChI=1S/2C24H25F3N2O.2C24H25N3O.C24H30N2O.C23H28N2O.C20H23N3O/c2*1-22(2)11-14-9-17-20(21(29-28-17)13-7-8-13)23(3,19(14)18(30)12-22)15-5-4-6-16(10-15)24(25,26)27;2*1-23(2)11-16-10-18-21(22(27-26-18)15-7-8-15)24(3,20(16)19(28)12-23)17-6-4-5-14(9-17)13-25;1-22(2,3)21-20-17(25-26-21)12-15-13-23(4,5)14-18(27)19(15)24(20,6)16-10-8-7-9-11-16;1-14(2)21-20-17(24-25-21)11-15-12-22(3,4)13-18(26)19(15)23(20,5)16-9-7-6-8-10-16;1-12-17-15(23-22-12)8-13-9-19(2,3)10-16(24)18(13)20(17,4)14-6-5-7-21-11-14/h2*4-6,10,13H,7-9,11-12H2,1-3H3,(H,28,29);2*4-6,9,15H,7-8,10-12H2,1-3H3,(H,26,27);7-11H,12-14H2,1-6H3,(H,25,26);6-10,14H,11-13H2,1-5H3,(H,24,25);5-7,11H,8-10H2,1-4H3,(H,22,23)/t2*23-;2*24-;;;/m1010.../s1
InChIKeyZTFBJZMITMYVGG-FLIGVMQTSA-N
MW2604.34 g/mol
LogP35.12
Rot. Bonds12

About 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;(4S)-3-cyclopropyl-4,7,7-trimethyl-4-[3-(trifluoromethyl)phenyl]-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3,4,7,7-tetramethyl-4-pyridin-3-yl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;4,7,7-trimethyl-4-phenyl-3-propan-2-yl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one

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;(4S)-3-cyclopropyl-4,7,7-trimethyl-4-[3-(trifluoromethyl)phenyl]-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3,4,7,7-tetramethyl-4-pyridin-3-yl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;4,7,7-trimethyl-4-phenyl-3-propan-2-yl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one (PubChem CID 162213837) has the molecular formula C163H181F6N17O7 and a molecular weight of 2604.34 g/mol. Its IUPAC name is 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;(4S)-3-cyclopropyl-4,7,7-trimethyl-4-[3-(trifluoromethyl)phenyl]-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3,4,7,7-tetramethyl-4-pyridin-3-yl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;4,7,7-trimethyl-4-phenyl-3-propan-2-yl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one.

Molecular Properties

Compound Name3-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;(4S)-3-cyclopropyl-4,7,7-trimethyl-4-[3-(trifluoromethyl)phenyl]-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3,4,7,7-tetramethyl-4-pyridin-3-yl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;4,7,7-trimethyl-4-phenyl-3-propan-2-yl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one
PubChem CID162213837
Molecular FormulaC163H181F6N17O7
Molecular Weight2604.34 g/mol
Exact Mass2602.42
IUPAC Name3-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;(4S)-3-cyclopropyl-4,7,7-trimethyl-4-[3-(trifluoromethyl)phenyl]-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3,4,7,7-tetramethyl-4-pyridin-3-yl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;4,7,7-trimethyl-4-phenyl-3-propan-2-yl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one
SMILESCC(C)c1n[nH]c2c1C(C)(c1ccccc1)C1=C(C2)CC(C)(C)CC1=O.CC1(C)CC(=O)C2=C(Cc3[nH]nc(C(C)(C)C)c3C2(C)c2ccccc2)C1.CC1(C)CC(=O)C2=C(Cc3[nH]nc(C4CC4)c3[C@@]2(C)c2cccc(C#N)c2)C1.CC1(C)CC(=O)C2=C(Cc3[nH]nc(C4CC4)c3[C@@]2(C)c2cccc(C(F)(F)F)c2)C1.CC1(C)CC(=O)C2=C(Cc3[nH]nc(C4CC4)c3[C@]2(C)c2cccc(C#N)c2)C1.CC1(C)CC(=O)C2=C(Cc3[nH]nc(C4CC4)c3[C@]2(C)c2cccc(C(F)(F)F)c2)C1.Cc1[nH]nc2c1C(C)(c1cccnc1)C1=C(C2)CC(C)(C)CC1=O
InChIInChI=1S/2C24H25F3N2O.2C24H25N3O.C24H30N2O.C23H28N2O.C20H23N3O/c2*1-22(2)11-14-9-17-20(21(29-28-17)13-7-8-13)23(3,19(14)18(30)12-22)15-5-4-6-16(10-15)24(25,26)27;2*1-23(2)11-16-10-18-21(22(27-26-18)15-7-8-15)24(3,20(16)19(28)12-23)17-6-4-5-14(9-17)13-25;1-22(2,3)21-20-17(25-26-21)12-15-13-23(4,5)14-18(27)19(15)24(20,6)16-10-8-7-9-11-16;1-14(2)21-20-17(24-25-21)11-15-12-22(3,4)13-18(26)19(15)23(20,5)16-9-7-6-8-10-16;1-12-17-15(23-22-12)8-13-9-19(2,3)10-16(24)18(13)20(17,4)14-6-5-7-21-11-14/h2*4-6,10,13H,7-9,11-12H2,1-3H3,(H,28,29);2*4-6,9,15H,7-8,10-12H2,1-3H3,(H,26,27);7-11H,12-14H2,1-6H3,(H,25,26);6-10,14H,11-13H2,1-5H3,(H,24,25);5-7,11H,8-10H2,1-4H3,(H,22,23)/t2*23-;2*24-;;;/m1010.../s1
InChIKeyZTFBJZMITMYVGG-FLIGVMQTSA-N
XLogP35.12
TPSA380.72 Ų
H-Bond Donors7
H-Bond Acceptors17
Rotatable Bonds12
Heavy Atoms193
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002604.34
LogP ≤ 535.12
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1017

Analyze 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;(4S)-3-cyclopropyl-4,7,7-trimethyl-4-[3-(trifluoromethyl)phenyl]-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3,4,7,7-tetramethyl-4-pyridin-3-yl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;4,7,7-trimethyl-4-phenyl-3-propan-2-yl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one 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
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-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-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;4,7,7-trimethyl-3,4-diphenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one
CID 158688613
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-(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-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-3-cyclopropyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-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
CID 159406043

Frequently Asked Questions

What is the IUPAC name of 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;(4S)-3-cyclopropyl-4,7,7-trimethyl-4-[3-(trifluoromethyl)phenyl]-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3,4,7,7-tetramethyl-4-pyridin-3-yl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;4,7,7-trimethyl-4-phenyl-3-propan-2-yl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one?
The IUPAC name of 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;(4S)-3-cyclopropyl-4,7,7-trimethyl-4-[3-(trifluoromethyl)phenyl]-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3,4,7,7-tetramethyl-4-pyridin-3-yl-2,6,8,9-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 162213837) is 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;(4S)-3-cyclopropyl-4,7,7-trimethyl-4-[3-(trifluoromethyl)phenyl]-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3,4,7,7-tetramethyl-4-pyridin-3-yl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;4,7,7-trimethyl-4-phenyl-3-propan-2-yl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one.
What is the SMILES notation for 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;(4S)-3-cyclopropyl-4,7,7-trimethyl-4-[3-(trifluoromethyl)phenyl]-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3,4,7,7-tetramethyl-4-pyridin-3-yl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;4,7,7-trimethyl-4-phenyl-3-propan-2-yl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one?
The canonical SMILES for 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;(4S)-3-cyclopropyl-4,7,7-trimethyl-4-[3-(trifluoromethyl)phenyl]-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3,4,7,7-tetramethyl-4-pyridin-3-yl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;4,7,7-trimethyl-4-phenyl-3-propan-2-yl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one is CC(C)c1n[nH]c2c1C(C)(c1ccccc1)C1=C(C2)CC(C)(C)CC1=O.CC1(C)CC(=O)C2=C(Cc3[nH]nc(C(C)(C)C)c3C2(C)c2ccccc2)C1.CC1(C)CC(=O)C2=C(Cc3[nH]nc(C4CC4)c3[C@@]2(C)c2cccc(C#N)c2)C1.CC1(C)CC(=O)C2=C(Cc3[nH]nc(C4CC4)c3[C@@]2(C)c2cccc(C(F)(F)F)c2)C1.CC1(C)CC(=O)C2=C(Cc3[nH]nc(C4CC4)c3[C@]2(C)c2cccc(C#N)c2)C1.CC1(C)CC(=O)C2=C(Cc3[nH]nc(C4CC4)c3[C@]2(C)c2cccc(C(F)(F)F)c2)C1.Cc1[nH]nc2c1C(C)(c1cccnc1)C1=C(C2)CC(C)(C)CC1=O.
What is the InChIKey of 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;(4S)-3-cyclopropyl-4,7,7-trimethyl-4-[3-(trifluoromethyl)phenyl]-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3,4,7,7-tetramethyl-4-pyridin-3-yl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;4,7,7-trimethyl-4-phenyl-3-propan-2-yl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one?
The InChIKey is ZTFBJZMITMYVGG-FLIGVMQTSA-N. The full InChI is InChI=1S/2C24H25F3N2O.2C24H25N3O.C24H30N2O.C23H28N2O.C20H23N3O/c2*1-22(2)11-14-9-17-20(21(29-28-17)13-7-8-13)23(3,19(14)18(30)12-22)15-5-4-6-16(10-15)24(25,26)27;2*1-23(2)11-16-10-18-21(22(27-26-18)15-7-8-15)24(3,20(16)19(28)12-23)17-6-4-5-14(9-17)13-25;1-22(2,3)21-20-17(25-26-21)12-15-13-23(4,5)14-18(27)19(15)24(20,6)16-10-8-7-9-11-16;1-14(2)21-20-17(24-25-21)11-15-12-22(3,4)13-18(26)19(15)23(20,5)16-9-7-6-8-10-16;1-12-17-15(23-22-12)8-13-9-19(2,3)10-16(24)18(13)20(17,4)14-6-5-7-21-11-14/h2*4-6,10,13H,7-9,11-12H2,1-3H3,(H,28,29);2*4-6,9,15H,7-8,10-12H2,1-3H3,(H,26,27);7-11H,12-14H2,1-6H3,(H,25,26);6-10,14H,11-13H2,1-5H3,(H,24,25);5-7,11H,8-10H2,1-4H3,(H,22,23)/t2*23-;2*24-;;;/m1010.../s1.
What are the key properties of 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;(4S)-3-cyclopropyl-4,7,7-trimethyl-4-[3-(trifluoromethyl)phenyl]-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3,4,7,7-tetramethyl-4-pyridin-3-yl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;4,7,7-trimethyl-4-phenyl-3-propan-2-yl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one?
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;(4S)-3-cyclopropyl-4,7,7-trimethyl-4-[3-(trifluoromethyl)phenyl]-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3,4,7,7-tetramethyl-4-pyridin-3-yl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;4,7,7-trimethyl-4-phenyl-3-propan-2-yl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one has a molecular weight of 2604.34 g/mol, XLogP of 35.12, 12 rotatable bonds, 7 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 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;(4S)-3-cyclopropyl-4,7,7-trimethyl-4-[3-(trifluoromethyl)phenyl]-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3,4,7,7-tetramethyl-4-pyridin-3-yl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;4,7,7-trimethyl-4-phenyl-3-propan-2-yl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one is sourced from PubChem (CID 162213837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).