3-butan-2-yl-4,7,7-trimethyl-4-phenyl-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;3-cyclopropyl-4,7,7-trimethyl-4-pyrazin-2-yl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-cyclopropyl-4,7,7-trimethyl-4-pyrimidin-2-yl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-cyclopropyl-4,7,7-trimethyl-4-pyrimidin-5-yl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-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;4,7,7-trimethyl-4-phenyl-3-propyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one

C249H286F3N31O11 — CID 157476583

IUPAC3-butan-2-yl-4,7,7-trimethyl-4-phenyl-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;3-cyclopropyl-4,7,7-trimethyl-4-pyrazin-2-yl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-cyclopropyl-4,7,7-trimethyl-4-pyrimidin-2-yl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-cyclopropyl-4,7,7-trimethyl-4-pyrimidin-5-yl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-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;4,7,7-trimethyl-4-phenyl-3-propyl-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)c3C2(C)c2cnccn2)C1.CC1(C)CC(=O)C2=C(Cc3[nH]nc(C4CC4)c3C2(C)c2cncnc2)C1.CC1(C)CC(=O)C2=C(Cc3[nH]nc(C4CC4)c3C2(C)c2ncccn2)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.CCC(C)c1n[nH]c2c1C(C)(c1ccccc1)C1=C(C2)CC(C)(C)CC1=O.CCCc1n[nH]c2c1C(C)(c1ccccc1)C1=C(C2)CC(C)(C)CC1=O.Cc1[nH]nc2c1C(C)(c1cccnc1)C1=C(C2)CC(C)(C)CC1=O
InChIInChI=1S/C24H25F3N2O.2C24H25N3O.2C24H30N2O.2C23H28N2O.3C21H24N4O.C20H23N3O/c1-22(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;1-6-15(2)22-21-18(25-26-22)12-16-13-23(3,4)14-19(27)20(16)24(21,5)17-10-8-7-9-11-17;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;1-5-9-17-21-18(25-24-17)12-15-13-22(2,3)14-19(26)20(15)23(21,4)16-10-7-6-8-11-16;1-20(2)10-13-9-14-17(18(25-24-14)12-5-6-12)21(3,16(13)15(26)11-20)19-22-7-4-8-23-19;1-20(2)7-13-6-15-18(19(25-24-15)12-4-5-12)21(3,17(13)16(26)8-20)14-9-22-11-23-10-14;1-20(2)9-13-8-14-18(19(25-24-14)12-4-5-12)21(3,17(13)15(26)10-20)16-11-22-6-7-23-16;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/h4-6,10,13H,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);7-11,15H,6,12-14H2,1-5H3,(H,25,26);6-10,14H,11-13H2,1-5H3,(H,24,25);6-8,10-11H,5,9,12-14H2,1-4H3,(H,24,25);4,7-8,12H,5-6,9-11H2,1-3H3,(H,24,25);9-12H,4-8H2,1-3H3,(H,24,25);6-7,11-12H,4-5,8-10H2,1-3H3,(H,24,25);5-7,11H,8-10H2,1-4H3,(H,22,23)/t23-;2*24-;;;;;;;;/m010......../s1
InChIKeyBVQWXTOXEBSATD-OYPHKRCRSA-N
MW3946.23 g/mol
LogP50.52
Rot. Bonds22

About 3-butan-2-yl-4,7,7-trimethyl-4-phenyl-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;3-cyclopropyl-4,7,7-trimethyl-4-pyrazin-2-yl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-cyclopropyl-4,7,7-trimethyl-4-pyrimidin-2-yl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-cyclopropyl-4,7,7-trimethyl-4-pyrimidin-5-yl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-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;4,7,7-trimethyl-4-phenyl-3-propyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one

3-butan-2-yl-4,7,7-trimethyl-4-phenyl-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;3-cyclopropyl-4,7,7-trimethyl-4-pyrazin-2-yl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-cyclopropyl-4,7,7-trimethyl-4-pyrimidin-2-yl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-cyclopropyl-4,7,7-trimethyl-4-pyrimidin-5-yl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-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;4,7,7-trimethyl-4-phenyl-3-propyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one (PubChem CID 157476583) has the molecular formula C249H286F3N31O11 and a molecular weight of 3946.23 g/mol. Its IUPAC name is 3-butan-2-yl-4,7,7-trimethyl-4-phenyl-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;3-cyclopropyl-4,7,7-trimethyl-4-pyrazin-2-yl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-cyclopropyl-4,7,7-trimethyl-4-pyrimidin-2-yl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-cyclopropyl-4,7,7-trimethyl-4-pyrimidin-5-yl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-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;4,7,7-trimethyl-4-phenyl-3-propyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one.

Molecular Properties

Compound Name3-butan-2-yl-4,7,7-trimethyl-4-phenyl-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;3-cyclopropyl-4,7,7-trimethyl-4-pyrazin-2-yl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-cyclopropyl-4,7,7-trimethyl-4-pyrimidin-2-yl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-cyclopropyl-4,7,7-trimethyl-4-pyrimidin-5-yl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-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;4,7,7-trimethyl-4-phenyl-3-propyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one
PubChem CID157476583
Molecular FormulaC249H286F3N31O11
Molecular Weight3946.23 g/mol
Exact Mass3943.27
IUPAC Name3-butan-2-yl-4,7,7-trimethyl-4-phenyl-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;3-cyclopropyl-4,7,7-trimethyl-4-pyrazin-2-yl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-cyclopropyl-4,7,7-trimethyl-4-pyrimidin-2-yl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-cyclopropyl-4,7,7-trimethyl-4-pyrimidin-5-yl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-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;4,7,7-trimethyl-4-phenyl-3-propyl-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)c3C2(C)c2cnccn2)C1.CC1(C)CC(=O)C2=C(Cc3[nH]nc(C4CC4)c3C2(C)c2cncnc2)C1.CC1(C)CC(=O)C2=C(Cc3[nH]nc(C4CC4)c3C2(C)c2ncccn2)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.CCC(C)c1n[nH]c2c1C(C)(c1ccccc1)C1=C(C2)CC(C)(C)CC1=O.CCCc1n[nH]c2c1C(C)(c1ccccc1)C1=C(C2)CC(C)(C)CC1=O.Cc1[nH]nc2c1C(C)(c1cccnc1)C1=C(C2)CC(C)(C)CC1=O
InChIInChI=1S/C24H25F3N2O.2C24H25N3O.2C24H30N2O.2C23H28N2O.3C21H24N4O.C20H23N3O/c1-22(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;1-6-15(2)22-21-18(25-26-22)12-16-13-23(3,4)14-19(27)20(16)24(21,5)17-10-8-7-9-11-17;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;1-5-9-17-21-18(25-24-17)12-15-13-22(2,3)14-19(26)20(15)23(21,4)16-10-7-6-8-11-16;1-20(2)10-13-9-14-17(18(25-24-14)12-5-6-12)21(3,16(13)15(26)11-20)19-22-7-4-8-23-19;1-20(2)7-13-6-15-18(19(25-24-15)12-4-5-12)21(3,17(13)16(26)8-20)14-9-22-11-23-10-14;1-20(2)9-13-8-14-18(19(25-24-14)12-4-5-12)21(3,17(13)15(26)10-20)16-11-22-6-7-23-16;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/h4-6,10,13H,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);7-11,15H,6,12-14H2,1-5H3,(H,25,26);6-10,14H,11-13H2,1-5H3,(H,24,25);6-8,10-11H,5,9,12-14H2,1-4H3,(H,24,25);4,7-8,12H,5-6,9-11H2,1-3H3,(H,24,25);9-12H,4-8H2,1-3H3,(H,24,25);6-7,11-12H,4-5,8-10H2,1-3H3,(H,24,25);5-7,11H,8-10H2,1-4H3,(H,22,23)/t23-;2*24-;;;;;;;;/m010......../s1
InChIKeyBVQWXTOXEBSATD-OYPHKRCRSA-N
XLogP50.52
TPSA641.06 Ų
H-Bond Donors11
H-Bond Acceptors31
Rotatable Bonds22
Heavy Atoms294
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003946.23
LogP ≤ 550.52
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1031

Analyze 3-butan-2-yl-4,7,7-trimethyl-4-phenyl-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;3-cyclopropyl-4,7,7-trimethyl-4-pyrazin-2-yl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-cyclopropyl-4,7,7-trimethyl-4-pyrimidin-2-yl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-cyclopropyl-4,7,7-trimethyl-4-pyrimidin-5-yl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-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;4,7,7-trimethyl-4-phenyl-3-propyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-4,7,7-trimethyl-4-phenyl-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;3-cyclopropyl-4,7,7-trimethyl-4-pyrazin-2-yl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-cyclopropyl-4,7,7-trimethyl-4-pyrimidin-2-yl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-cyclopropyl-4,7,7-trimethyl-4-pyrimidin-5-yl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-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;4,7,7-trimethyl-4-phenyl-3-propyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one?
The IUPAC name of 3-butan-2-yl-4,7,7-trimethyl-4-phenyl-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;3-cyclopropyl-4,7,7-trimethyl-4-pyrazin-2-yl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-cyclopropyl-4,7,7-trimethyl-4-pyrimidin-2-yl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-cyclopropyl-4,7,7-trimethyl-4-pyrimidin-5-yl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-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;4,7,7-trimethyl-4-phenyl-3-propyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one (CID 157476583) is 3-butan-2-yl-4,7,7-trimethyl-4-phenyl-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;3-cyclopropyl-4,7,7-trimethyl-4-pyrazin-2-yl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-cyclopropyl-4,7,7-trimethyl-4-pyrimidin-2-yl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-cyclopropyl-4,7,7-trimethyl-4-pyrimidin-5-yl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-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;4,7,7-trimethyl-4-phenyl-3-propyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one.
What is the SMILES notation for 3-butan-2-yl-4,7,7-trimethyl-4-phenyl-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;3-cyclopropyl-4,7,7-trimethyl-4-pyrazin-2-yl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-cyclopropyl-4,7,7-trimethyl-4-pyrimidin-2-yl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-cyclopropyl-4,7,7-trimethyl-4-pyrimidin-5-yl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-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;4,7,7-trimethyl-4-phenyl-3-propyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one?
The canonical SMILES for 3-butan-2-yl-4,7,7-trimethyl-4-phenyl-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;3-cyclopropyl-4,7,7-trimethyl-4-pyrazin-2-yl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-cyclopropyl-4,7,7-trimethyl-4-pyrimidin-2-yl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-cyclopropyl-4,7,7-trimethyl-4-pyrimidin-5-yl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-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;4,7,7-trimethyl-4-phenyl-3-propyl-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)c3C2(C)c2cnccn2)C1.CC1(C)CC(=O)C2=C(Cc3[nH]nc(C4CC4)c3C2(C)c2cncnc2)C1.CC1(C)CC(=O)C2=C(Cc3[nH]nc(C4CC4)c3C2(C)c2ncccn2)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.CCC(C)c1n[nH]c2c1C(C)(c1ccccc1)C1=C(C2)CC(C)(C)CC1=O.CCCc1n[nH]c2c1C(C)(c1ccccc1)C1=C(C2)CC(C)(C)CC1=O.Cc1[nH]nc2c1C(C)(c1cccnc1)C1=C(C2)CC(C)(C)CC1=O.
What is the InChIKey of 3-butan-2-yl-4,7,7-trimethyl-4-phenyl-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;3-cyclopropyl-4,7,7-trimethyl-4-pyrazin-2-yl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-cyclopropyl-4,7,7-trimethyl-4-pyrimidin-2-yl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-cyclopropyl-4,7,7-trimethyl-4-pyrimidin-5-yl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-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;4,7,7-trimethyl-4-phenyl-3-propyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one?
The InChIKey is BVQWXTOXEBSATD-OYPHKRCRSA-N. The full InChI is InChI=1S/C24H25F3N2O.2C24H25N3O.2C24H30N2O.2C23H28N2O.3C21H24N4O.C20H23N3O/c1-22(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;1-6-15(2)22-21-18(25-26-22)12-16-13-23(3,4)14-19(27)20(16)24(21,5)17-10-8-7-9-11-17;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;1-5-9-17-21-18(25-24-17)12-15-13-22(2,3)14-19(26)20(15)23(21,4)16-10-7-6-8-11-16;1-20(2)10-13-9-14-17(18(25-24-14)12-5-6-12)21(3,16(13)15(26)11-20)19-22-7-4-8-23-19;1-20(2)7-13-6-15-18(19(25-24-15)12-4-5-12)21(3,17(13)16(26)8-20)14-9-22-11-23-10-14;1-20(2)9-13-8-14-18(19(25-24-14)12-4-5-12)21(3,17(13)15(26)10-20)16-11-22-6-7-23-16;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/h4-6,10,13H,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);7-11,15H,6,12-14H2,1-5H3,(H,25,26);6-10,14H,11-13H2,1-5H3,(H,24,25);6-8,10-11H,5,9,12-14H2,1-4H3,(H,24,25);4,7-8,12H,5-6,9-11H2,1-3H3,(H,24,25);9-12H,4-8H2,1-3H3,(H,24,25);6-7,11-12H,4-5,8-10H2,1-3H3,(H,24,25);5-7,11H,8-10H2,1-4H3,(H,22,23)/t23-;2*24-;;;;;;;;/m010......../s1.
What are the key properties of 3-butan-2-yl-4,7,7-trimethyl-4-phenyl-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;3-cyclopropyl-4,7,7-trimethyl-4-pyrazin-2-yl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-cyclopropyl-4,7,7-trimethyl-4-pyrimidin-2-yl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-cyclopropyl-4,7,7-trimethyl-4-pyrimidin-5-yl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-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;4,7,7-trimethyl-4-phenyl-3-propyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one?
3-butan-2-yl-4,7,7-trimethyl-4-phenyl-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;3-cyclopropyl-4,7,7-trimethyl-4-pyrazin-2-yl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-cyclopropyl-4,7,7-trimethyl-4-pyrimidin-2-yl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-cyclopropyl-4,7,7-trimethyl-4-pyrimidin-5-yl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-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;4,7,7-trimethyl-4-phenyl-3-propyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one has a molecular weight of 3946.23 g/mol, XLogP of 50.52, 22 rotatable bonds, 11 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-4,7,7-trimethyl-4-phenyl-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;3-cyclopropyl-4,7,7-trimethyl-4-pyrazin-2-yl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-cyclopropyl-4,7,7-trimethyl-4-pyrimidin-2-yl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-cyclopropyl-4,7,7-trimethyl-4-pyrimidin-5-yl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-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;4,7,7-trimethyl-4-phenyl-3-propyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one is sourced from PubChem (CID 157476583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).