1-(4-fluorophenyl)-2-[(5S)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]ethanol

C23H22F2N2O — CID 66919502

IUPAC1-(4-fluorophenyl)-2-[(5S)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]ethanol
SMILESCC1=Cc2c(cnn2-c2ccc(F)cc2)C[C@@]1(C)CC(O)c1ccc(F)cc1
InChIInChI=1S/C23H22F2N2O/c1-15-11-21-17(14-26-27(21)20-9-7-19(25)8-10-20)12-23(15,2)13-22(28)16-3-5-18(24)6-4-16/h3-11,14,22,28H,12-13H2,1-2H3/t22?,23-/m0/s1
InChIKeyRPHSAFBMKSMYJJ-WCSIJFPASA-N
MW380.44 g/mol
LogP5.24
Rot. Bonds4

About 1-(4-fluorophenyl)-2-[(5S)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]ethanol

1-(4-fluorophenyl)-2-[(5S)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]ethanol (PubChem CID 66919502) has the molecular formula C23H22F2N2O and a molecular weight of 380.44 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[(5S)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]ethanol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[(5S)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]ethanol
PubChem CID66919502
Molecular FormulaC23H22F2N2O
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name1-(4-fluorophenyl)-2-[(5S)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]ethanol
SMILESCC1=Cc2c(cnn2-c2ccc(F)cc2)C[C@@]1(C)CC(O)c1ccc(F)cc1
InChIInChI=1S/C23H22F2N2O/c1-15-11-21-17(14-26-27(21)20-9-7-19(25)8-10-20)12-23(15,2)13-22(28)16-3-5-18(24)6-4-16/h3-11,14,22,28H,12-13H2,1-2H3/t22?,23-/m0/s1
InChIKeyRPHSAFBMKSMYJJ-WCSIJFPASA-N
XLogP5.24
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.44
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-1-(3-methylthiophen-2-yl)ethanol
CID 66919344
2-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-1-(2-methoxyphenyl)ethanol
CID 66919428
(5R)-5-[2-ethoxy-2-(3-methylphenyl)ethyl]-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazole
CID 15605047
(5R)-1-(4-fluorophenyl)-5-(2-methoxy-2-naphthalen-1-ylethyl)-5,6-dimethyl-4H-indazole
CID 15604975
(1S)-1-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-2-phenylethanol
CID 15605657
2-[4a-methyl-1-(4-methylphenyl)-5,6,7,8-tetrahydro-4H-benzo[f]indazol-5-yl]-1-(4-fluorophenyl)ethanol
CID 142819633
(1R)-2-[(5R)-4a-methyl-1-(4-methylphenyl)-5,6,7,8-tetrahydro-4H-benzo[f]indazol-5-yl]-1-(4-fluorophenyl)ethanol
CID 142819570
N-benzyl-2-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]ethanamine
CID 66919606
2-[1-(4-fluorophenyl)-4a-methyl-5-(2-methylpropoxymethyl)-6,7-dihydro-4H-cyclopenta[f]indazol-5-yl]-1-phenylethanol
CID 91192428
3-[2-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]ethyl]-2H-1,3,4-thiadiazol-2-amine
CID 67411112
2-[(5R)-1-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-indazol-5-yl]-1-phenylethanol
CID 15605439
5-[(2R)-2-ethoxy-2-phenylethyl]-1-(4-fluorophenyl)-5-methyl-6-phenyl-4H-indazole
CID 66919542

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[(5S)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]ethanol?
The IUPAC name of 1-(4-fluorophenyl)-2-[(5S)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]ethanol (CID 66919502) is 1-(4-fluorophenyl)-2-[(5S)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]ethanol.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[(5S)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]ethanol?
The canonical SMILES for 1-(4-fluorophenyl)-2-[(5S)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]ethanol is CC1=Cc2c(cnn2-c2ccc(F)cc2)C[C@@]1(C)CC(O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[(5S)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]ethanol?
The InChIKey is RPHSAFBMKSMYJJ-WCSIJFPASA-N. The full InChI is InChI=1S/C23H22F2N2O/c1-15-11-21-17(14-26-27(21)20-9-7-19(25)8-10-20)12-23(15,2)13-22(28)16-3-5-18(24)6-4-16/h3-11,14,22,28H,12-13H2,1-2H3/t22?,23-/m0/s1.
What are the key properties of 1-(4-fluorophenyl)-2-[(5S)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]ethanol?
1-(4-fluorophenyl)-2-[(5S)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]ethanol has a molecular weight of 380.44 g/mol, XLogP of 5.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[(5S)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]ethanol is sourced from PubChem (CID 66919502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).