(4R)-3-cyclohexyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-3-cyclohexyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-(3,3-difluorocyclobutyl)-4,7,7-trimethyl-4-[3-(trifluoromethyl)phenyl]-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-4,7,7-trimethyl-3-(2-methylpropyl)-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-4,7,7-trimethyl-3-(2-methylpropyl)-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;4,7,7-trimethyl-3-(2-methylpropyl)-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one

C149H179F5N12O6 — CID 159554951

IUPAC(4R)-3-cyclohexyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-3-cyclohexyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-(3,3-difluorocyclobutyl)-4,7,7-trimethyl-4-[3-(trifluoromethyl)phenyl]-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-4,7,7-trimethyl-3-(2-methylpropyl)-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-4,7,7-trimethyl-3-(2-methylpropyl)-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;4,7,7-trimethyl-3-(2-methylpropyl)-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one
SMILESCC(C)Cc1n[nH]c2c1C(C)(c1ccccc1)C1=C(C2)CC(C)(C)CC1=O.CC(C)Cc1n[nH]c2c1[C@@](C)(c1ccccc1)C1=C(C2)CC(C)(C)CC1=O.CC(C)Cc1n[nH]c2c1[C@](C)(c1ccccc1)C1=C(C2)CC(C)(C)CC1=O.CC1(C)CC(=O)C2=C(Cc3[nH]nc(C4CC(F)(F)C4)c3C2(C)c2cccc(C(F)(F)F)c2)C1.CC1(C)CC(=O)C2=C(Cc3[nH]nc(C4CCCCC4)c3[C@@]2(C)c2ccccc2)C1.CC1(C)CC(=O)C2=C(Cc3[nH]nc(C4CCCCC4)c3[C@]2(C)c2ccccc2)C1
InChIInChI=1S/2C26H32N2O.C25H25F5N2O.3C24H30N2O/c2*1-25(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;1-22(2)9-13-7-17-20(21(32-31-17)14-10-24(26,27)11-14)23(3,19(13)18(33)12-22)15-5-4-6-16(8-15)25(28,29)30;3*1-15(2)11-18-22-19(26-25-18)12-16-13-23(3,4)14-20(27)21(16)24(22,5)17-9-7-6-8-10-17/h2*5,8-9,12-13,17H,4,6-7,10-11,14-16H2,1-3H3,(H,27,28);4-6,8,14H,7,9-12H2,1-3H3,(H,31,32);3*6-10,15H,11-14H2,1-5H3,(H,25,26)/t2*26-;;2*24-;/m10.10./s1
InChIKeyMFWFUZNVFSYDEP-HZWVKTOPSA-N
MW2329.14 g/mol
LogP33.97
Rot. Bonds15

About (4R)-3-cyclohexyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-3-cyclohexyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-(3,3-difluorocyclobutyl)-4,7,7-trimethyl-4-[3-(trifluoromethyl)phenyl]-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-4,7,7-trimethyl-3-(2-methylpropyl)-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-4,7,7-trimethyl-3-(2-methylpropyl)-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;4,7,7-trimethyl-3-(2-methylpropyl)-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one

(4R)-3-cyclohexyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-3-cyclohexyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-(3,3-difluorocyclobutyl)-4,7,7-trimethyl-4-[3-(trifluoromethyl)phenyl]-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-4,7,7-trimethyl-3-(2-methylpropyl)-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-4,7,7-trimethyl-3-(2-methylpropyl)-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;4,7,7-trimethyl-3-(2-methylpropyl)-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one (PubChem CID 159554951) has the molecular formula C149H179F5N12O6 and a molecular weight of 2329.14 g/mol. Its IUPAC name is (4R)-3-cyclohexyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-3-cyclohexyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-(3,3-difluorocyclobutyl)-4,7,7-trimethyl-4-[3-(trifluoromethyl)phenyl]-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-4,7,7-trimethyl-3-(2-methylpropyl)-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-4,7,7-trimethyl-3-(2-methylpropyl)-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;4,7,7-trimethyl-3-(2-methylpropyl)-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one.

Molecular Properties

Compound Name(4R)-3-cyclohexyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-3-cyclohexyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-(3,3-difluorocyclobutyl)-4,7,7-trimethyl-4-[3-(trifluoromethyl)phenyl]-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-4,7,7-trimethyl-3-(2-methylpropyl)-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-4,7,7-trimethyl-3-(2-methylpropyl)-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;4,7,7-trimethyl-3-(2-methylpropyl)-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one
PubChem CID159554951
Molecular FormulaC149H179F5N12O6
Molecular Weight2329.14 g/mol
Exact Mass2327.40
IUPAC Name(4R)-3-cyclohexyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-3-cyclohexyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-(3,3-difluorocyclobutyl)-4,7,7-trimethyl-4-[3-(trifluoromethyl)phenyl]-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-4,7,7-trimethyl-3-(2-methylpropyl)-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-4,7,7-trimethyl-3-(2-methylpropyl)-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;4,7,7-trimethyl-3-(2-methylpropyl)-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one
SMILESCC(C)Cc1n[nH]c2c1C(C)(c1ccccc1)C1=C(C2)CC(C)(C)CC1=O.CC(C)Cc1n[nH]c2c1[C@@](C)(c1ccccc1)C1=C(C2)CC(C)(C)CC1=O.CC(C)Cc1n[nH]c2c1[C@](C)(c1ccccc1)C1=C(C2)CC(C)(C)CC1=O.CC1(C)CC(=O)C2=C(Cc3[nH]nc(C4CC(F)(F)C4)c3C2(C)c2cccc(C(F)(F)F)c2)C1.CC1(C)CC(=O)C2=C(Cc3[nH]nc(C4CCCCC4)c3[C@@]2(C)c2ccccc2)C1.CC1(C)CC(=O)C2=C(Cc3[nH]nc(C4CCCCC4)c3[C@]2(C)c2ccccc2)C1
InChIInChI=1S/2C26H32N2O.C25H25F5N2O.3C24H30N2O/c2*1-25(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;1-22(2)9-13-7-17-20(21(32-31-17)14-10-24(26,27)11-14)23(3,19(13)18(33)12-22)15-5-4-6-16(8-15)25(28,29)30;3*1-15(2)11-18-22-19(26-25-18)12-16-13-23(3,4)14-20(27)21(16)24(22,5)17-9-7-6-8-10-17/h2*5,8-9,12-13,17H,4,6-7,10-11,14-16H2,1-3H3,(H,27,28);4-6,8,14H,7,9-12H2,1-3H3,(H,31,32);3*6-10,15H,11-14H2,1-5H3,(H,25,26)/t2*26-;;2*24-;/m10.10./s1
InChIKeyMFWFUZNVFSYDEP-HZWVKTOPSA-N
XLogP33.97
TPSA274.50 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms172
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002329.14
LogP ≤ 533.97
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Analyze (4R)-3-cyclohexyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-3-cyclohexyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-(3,3-difluorocyclobutyl)-4,7,7-trimethyl-4-[3-(trifluoromethyl)phenyl]-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-4,7,7-trimethyl-3-(2-methylpropyl)-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-4,7,7-trimethyl-3-(2-methylpropyl)-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;4,7,7-trimethyl-3-(2-methylpropyl)-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-cyclohexyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-3-cyclohexyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-(3,3-difluorocyclobutyl)-4,7,7-trimethyl-4-[3-(trifluoromethyl)phenyl]-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-4,7,7-trimethyl-3-(2-methylpropyl)-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-4,7,7-trimethyl-3-(2-methylpropyl)-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;4,7,7-trimethyl-3-(2-methylpropyl)-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one?
The IUPAC name of (4R)-3-cyclohexyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-3-cyclohexyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-(3,3-difluorocyclobutyl)-4,7,7-trimethyl-4-[3-(trifluoromethyl)phenyl]-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-4,7,7-trimethyl-3-(2-methylpropyl)-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-4,7,7-trimethyl-3-(2-methylpropyl)-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;4,7,7-trimethyl-3-(2-methylpropyl)-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one (CID 159554951) is (4R)-3-cyclohexyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-3-cyclohexyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-(3,3-difluorocyclobutyl)-4,7,7-trimethyl-4-[3-(trifluoromethyl)phenyl]-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-4,7,7-trimethyl-3-(2-methylpropyl)-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-4,7,7-trimethyl-3-(2-methylpropyl)-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;4,7,7-trimethyl-3-(2-methylpropyl)-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one.
What is the SMILES notation for (4R)-3-cyclohexyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-3-cyclohexyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-(3,3-difluorocyclobutyl)-4,7,7-trimethyl-4-[3-(trifluoromethyl)phenyl]-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-4,7,7-trimethyl-3-(2-methylpropyl)-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-4,7,7-trimethyl-3-(2-methylpropyl)-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;4,7,7-trimethyl-3-(2-methylpropyl)-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one?
The canonical SMILES for (4R)-3-cyclohexyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-3-cyclohexyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-(3,3-difluorocyclobutyl)-4,7,7-trimethyl-4-[3-(trifluoromethyl)phenyl]-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-4,7,7-trimethyl-3-(2-methylpropyl)-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-4,7,7-trimethyl-3-(2-methylpropyl)-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;4,7,7-trimethyl-3-(2-methylpropyl)-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one is CC(C)Cc1n[nH]c2c1C(C)(c1ccccc1)C1=C(C2)CC(C)(C)CC1=O.CC(C)Cc1n[nH]c2c1[C@@](C)(c1ccccc1)C1=C(C2)CC(C)(C)CC1=O.CC(C)Cc1n[nH]c2c1[C@](C)(c1ccccc1)C1=C(C2)CC(C)(C)CC1=O.CC1(C)CC(=O)C2=C(Cc3[nH]nc(C4CC(F)(F)C4)c3C2(C)c2cccc(C(F)(F)F)c2)C1.CC1(C)CC(=O)C2=C(Cc3[nH]nc(C4CCCCC4)c3[C@@]2(C)c2ccccc2)C1.CC1(C)CC(=O)C2=C(Cc3[nH]nc(C4CCCCC4)c3[C@]2(C)c2ccccc2)C1.
What is the InChIKey of (4R)-3-cyclohexyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-3-cyclohexyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-(3,3-difluorocyclobutyl)-4,7,7-trimethyl-4-[3-(trifluoromethyl)phenyl]-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-4,7,7-trimethyl-3-(2-methylpropyl)-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-4,7,7-trimethyl-3-(2-methylpropyl)-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;4,7,7-trimethyl-3-(2-methylpropyl)-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one?
The InChIKey is MFWFUZNVFSYDEP-HZWVKTOPSA-N. The full InChI is InChI=1S/2C26H32N2O.C25H25F5N2O.3C24H30N2O/c2*1-25(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;1-22(2)9-13-7-17-20(21(32-31-17)14-10-24(26,27)11-14)23(3,19(13)18(33)12-22)15-5-4-6-16(8-15)25(28,29)30;3*1-15(2)11-18-22-19(26-25-18)12-16-13-23(3,4)14-20(27)21(16)24(22,5)17-9-7-6-8-10-17/h2*5,8-9,12-13,17H,4,6-7,10-11,14-16H2,1-3H3,(H,27,28);4-6,8,14H,7,9-12H2,1-3H3,(H,31,32);3*6-10,15H,11-14H2,1-5H3,(H,25,26)/t2*26-;;2*24-;/m10.10./s1.
What are the key properties of (4R)-3-cyclohexyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-3-cyclohexyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-(3,3-difluorocyclobutyl)-4,7,7-trimethyl-4-[3-(trifluoromethyl)phenyl]-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-4,7,7-trimethyl-3-(2-methylpropyl)-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-4,7,7-trimethyl-3-(2-methylpropyl)-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;4,7,7-trimethyl-3-(2-methylpropyl)-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one?
(4R)-3-cyclohexyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-3-cyclohexyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-(3,3-difluorocyclobutyl)-4,7,7-trimethyl-4-[3-(trifluoromethyl)phenyl]-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-4,7,7-trimethyl-3-(2-methylpropyl)-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-4,7,7-trimethyl-3-(2-methylpropyl)-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;4,7,7-trimethyl-3-(2-methylpropyl)-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one has a molecular weight of 2329.14 g/mol, XLogP of 33.97, 15 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-cyclohexyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-3-cyclohexyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-(3,3-difluorocyclobutyl)-4,7,7-trimethyl-4-[3-(trifluoromethyl)phenyl]-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-4,7,7-trimethyl-3-(2-methylpropyl)-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-4,7,7-trimethyl-3-(2-methylpropyl)-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;4,7,7-trimethyl-3-(2-methylpropyl)-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one is sourced from PubChem (CID 159554951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).