3-butan-2-yl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-cyclohexyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-cyclopentyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;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;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-propyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one

C181H215N23O8 — CID 158044499

IUPAC3-butan-2-yl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-cyclohexyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-cyclopentyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;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;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-propyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one
SMILESCC1(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(C4CCCC4)c3C2(C)c2ccccc2)C1.CC1(C)CC(=O)C2=C(Cc3[nH]nc(C4CCCCC4)c3C2(C)c2ccccc2)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/C26H32N2O.C25H30N2O.C24H30N2O.C23H28N2O.3C21H24N4O.C20H23N3O/c1-25(2)15-18-14-20-23(24(28-27-20)17-10-6-4-7-11-17)26(3,22(18)21(29)16-25)19-12-8-5-9-13-19;1-24(2)14-17-13-19-22(23(27-26-19)16-9-7-8-10-16)25(3,21(17)20(28)15-24)18-11-5-4-6-12-18;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;1-5-9-17-21-18(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/h5,8-9,12-13,17H,4,6-7,10-11,14-16H2,1-3H3,(H,27,28);4-6,11-12,16H,7-10,13-15H2,1-3H3,(H,26,27);7-11,15H,6,12-14H2,1-5H3,(H,25,26);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)
InChIKeyFISZDHNCRRGKHL-UHFFFAOYSA-N
MW2840.86 g/mol
LogP36.54
Rot. Bonds17

About 3-butan-2-yl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-cyclohexyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-cyclopentyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;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;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-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-cyclohexyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-cyclopentyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;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;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-propyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one (PubChem CID 158044499) has the molecular formula C181H215N23O8 and a molecular weight of 2840.86 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-cyclohexyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-cyclopentyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;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;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-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-cyclohexyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-cyclopentyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;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;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-propyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one
PubChem CID158044499
Molecular FormulaC181H215N23O8
Molecular Weight2840.86 g/mol
Exact Mass2838.71
IUPAC Name3-butan-2-yl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-cyclohexyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-cyclopentyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;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;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-propyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one
SMILESCC1(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(C4CCCC4)c3C2(C)c2ccccc2)C1.CC1(C)CC(=O)C2=C(Cc3[nH]nc(C4CCCCC4)c3C2(C)c2ccccc2)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/C26H32N2O.C25H30N2O.C24H30N2O.C23H28N2O.3C21H24N4O.C20H23N3O/c1-25(2)15-18-14-20-23(24(28-27-20)17-10-6-4-7-11-17)26(3,22(18)21(29)16-25)19-12-8-5-9-13-19;1-24(2)14-17-13-19-22(23(27-26-19)16-9-7-8-10-16)25(3,21(17)20(28)15-24)18-11-5-4-6-12-18;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;1-5-9-17-21-18(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/h5,8-9,12-13,17H,4,6-7,10-11,14-16H2,1-3H3,(H,27,28);4-6,11-12,16H,7-10,13-15H2,1-3H3,(H,26,27);7-11,15H,6,12-14H2,1-5H3,(H,25,26);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)
InChIKeyFISZDHNCRRGKHL-UHFFFAOYSA-N
XLogP36.54
TPSA456.23 Ų
H-Bond Donors8
H-Bond Acceptors23
Rotatable Bonds17
Heavy Atoms212
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002840.86
LogP ≤ 536.54
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1023

Analyze 3-butan-2-yl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-cyclohexyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-cyclopentyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;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;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-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

Related Compounds

CID 157476583
CID 157476583
1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-quinazolin-4-ylbutan-1-one;(1R,5S)-N-[2-(1-ethylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(3H-isoindol-1-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-isoquinolin-4-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(7-methyl-2H-indazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-[1-(2,2,2-trifluoroethyl)indazol-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 160309972
3-tert-butyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;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;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;(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 162169118
3-Butan-2-yl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-cyclohexyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-cyclopentyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;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;4,7,7-trimethyl-4-phenyl-3-propyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one
CID 157130609
N-[5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide;N-[5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide;N-[5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide;N-[5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide
CID 157236841
1-[4-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]phenyl]-3-(1-methyl-3-phenylpyrazol-5-yl)propan-2-one;1-[4-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]phenyl]-3-(3-phenyl-1H-pyrazol-5-yl)propan-2-one;1-[4-[6-(4-methylimidazol-1-yl)-7H-purin-8-yl]phenyl]-3-(1-methyl-3-phenylpyrazol-5-yl)propan-2-one;1-[4-[6-(4-methylimidazol-1-yl)-7H-purin-8-yl]phenyl]-3-(3-phenyl-1H-pyrazol-5-yl)propan-2-one;1-[4-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]phenyl]-3-(3-phenyl-1H-pyrazol-5-yl)propan-2-one;1-[4-[4-(4-methylimidazol-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-3-(1-methyl-3-phenylpyrazol-5-yl)propan-2-one;1-[4-[4-(4-methylimidazol-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-3-(3-phenyl-1H-pyrazol-5-yl)propan-2-one
CID 157271294
2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-N,N-dimethyl-1-oxo-3H-isoindole-5-carboxamide;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(1-methylimidazol-4-yl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(1-methylpyrazol-3-yl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(2-methylpyrazol-3-yl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(1H-pyrazol-5-yl)-3H-isoindol-1-one
CID 157432534
3-Butan-2-yl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-cyclohexyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-cyclopentyl-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;3,4,7,7-tetramethyl-4-(2-methylphenyl)-2,6,8,9-tetrahydrobenzo[f]indazol-5-one
CID 157467985
3-Butan-2-yl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;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;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-propyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one
CID 157712750
3,3-dimethyl-N-[5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]butanamide;5-[3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine;N-[5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide;N-[5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide;N-[5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide
CID 157790689
3-tert-butylcyclohexa-2,4-dien-1-one;1-tert-butyl-3-ethenylbenzene;2-tert-butyl-1H-imidazole;bis(5-tert-butyl-2-methyl-1H-imidazole);5-(4-tert-butylphenyl)-1,2-dimethylimidazole;2-(4-tert-butylphenyl)-1H-imidazole;5-(4-tert-butylphenyl)-1H-imidazole;2-(4-tert-butylphenyl)-1-methylimidazole;5-(4-tert-butylphenyl)-1-methylimidazole;5-(4-tert-butylphenyl)-2-methyl-1H-imidazole;1-(4-tert-butylphenyl)-3-methylpyrazole;1-(4-tert-butylphenyl)pyrazole;4-tert-butylpiperidin-2-one;4-tert-butyl-1-prop-1-en-2-ylpiperidine;5-tert-butyl-1H-pyrazole
CID 157865741
1-[4-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]phenyl]-3-(3-pyridin-3-yl-1H-pyrazol-5-yl)propan-2-one;1-[4-[6-(4-methylimidazol-1-yl)-7H-purin-8-yl]phenyl]-3-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)propan-2-one;1-[4-[6-(4-methylimidazol-1-yl)-7H-purin-8-yl]phenyl]-3-(3-pyridin-3-yl-1H-pyrazol-5-yl)propan-2-one;1-[4-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]phenyl]-3-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)propan-2-one;1-[4-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]phenyl]-3-(3-pyridin-3-yl-1H-pyrazol-5-yl)propan-2-one;1-[4-[4-(4-methylimidazol-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-3-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)propan-2-one;1-[4-[4-(4-methylimidazol-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-3-(3-pyridin-3-yl-1H-pyrazol-5-yl)propan-2-one
CID 158088328

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-cyclohexyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-cyclopentyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;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;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-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-cyclohexyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-cyclopentyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;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;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-propyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one (CID 158044499) is 3-butan-2-yl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-cyclohexyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-cyclopentyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;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;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-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-cyclohexyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-cyclopentyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;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;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-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-cyclohexyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-cyclopentyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;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;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-propyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one is 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(C4CCCC4)c3C2(C)c2ccccc2)C1.CC1(C)CC(=O)C2=C(Cc3[nH]nc(C4CCCCC4)c3C2(C)c2ccccc2)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-cyclohexyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-cyclopentyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;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;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-propyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one?
The InChIKey is FISZDHNCRRGKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O.C25H30N2O.C24H30N2O.C23H28N2O.3C21H24N4O.C20H23N3O/c1-25(2)15-18-14-20-23(24(28-27-20)17-10-6-4-7-11-17)26(3,22(18)21(29)16-25)19-12-8-5-9-13-19;1-24(2)14-17-13-19-22(23(27-26-19)16-9-7-8-10-16)25(3,21(17)20(28)15-24)18-11-5-4-6-12-18;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;1-5-9-17-21-18(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/h5,8-9,12-13,17H,4,6-7,10-11,14-16H2,1-3H3,(H,27,28);4-6,11-12,16H,7-10,13-15H2,1-3H3,(H,26,27);7-11,15H,6,12-14H2,1-5H3,(H,25,26);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).
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-cyclohexyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-cyclopentyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;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;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-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-cyclohexyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-cyclopentyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;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;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-propyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one has a molecular weight of 2840.86 g/mol, XLogP of 36.54, 17 rotatable bonds, 8 hydrogen bond donors, and 23 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-cyclohexyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-cyclopentyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;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;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-propyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one is sourced from PubChem (CID 158044499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).