(5R)-1-(4-fluorophenyl)-5,6-dimethyl-5-(2-phenylmethoxyethyl)-4H-indazole

C24H25FN2O — CID 15605580

IUPAC(5R)-1-(4-fluorophenyl)-5,6-dimethyl-5-(2-phenylmethoxyethyl)-4H-indazole
SMILESCC1=Cc2c(cnn2-c2ccc(F)cc2)C[C@]1(C)CCOCc1ccccc1
InChIInChI=1S/C24H25FN2O/c1-18-14-23-20(16-26-27(23)22-10-8-21(25)9-11-22)15-24(18,2)12-13-28-17-19-6-4-3-5-7-19/h3-11,14,16H,12-13,15,17H2,1-2H3/t24-/m0/s1
InChIKeyNZMCXMDDTJSOFW-DEOSSOPVSA-N
MW376.48 g/mol
LogP5.58
Rot. Bonds6

About (5R)-1-(4-fluorophenyl)-5,6-dimethyl-5-(2-phenylmethoxyethyl)-4H-indazole

(5R)-1-(4-fluorophenyl)-5,6-dimethyl-5-(2-phenylmethoxyethyl)-4H-indazole (PubChem CID 15605580) has the molecular formula C24H25FN2O and a molecular weight of 376.48 g/mol. Its IUPAC name is (5R)-1-(4-fluorophenyl)-5,6-dimethyl-5-(2-phenylmethoxyethyl)-4H-indazole.

Molecular Properties

Compound Name(5R)-1-(4-fluorophenyl)-5,6-dimethyl-5-(2-phenylmethoxyethyl)-4H-indazole
PubChem CID15605580
Molecular FormulaC24H25FN2O
Molecular Weight376.48 g/mol
Exact Mass376.20
IUPAC Name(5R)-1-(4-fluorophenyl)-5,6-dimethyl-5-(2-phenylmethoxyethyl)-4H-indazole
SMILESCC1=Cc2c(cnn2-c2ccc(F)cc2)C[C@]1(C)CCOCc1ccccc1
InChIInChI=1S/C24H25FN2O/c1-18-14-23-20(16-26-27(23)22-10-8-21(25)9-11-22)15-24(18,2)12-13-28-17-19-6-4-3-5-7-19/h3-11,14,16H,12-13,15,17H2,1-2H3/t24-/m0/s1
InChIKeyNZMCXMDDTJSOFW-DEOSSOPVSA-N
XLogP5.58
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.48
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R)-1-(4-fluorophenyl)-5,6-dimethyl-5-(2-phenylmethoxyethyl)-4H-indazole?
The IUPAC name of (5R)-1-(4-fluorophenyl)-5,6-dimethyl-5-(2-phenylmethoxyethyl)-4H-indazole (CID 15605580) is (5R)-1-(4-fluorophenyl)-5,6-dimethyl-5-(2-phenylmethoxyethyl)-4H-indazole.
What is the SMILES notation for (5R)-1-(4-fluorophenyl)-5,6-dimethyl-5-(2-phenylmethoxyethyl)-4H-indazole?
The canonical SMILES for (5R)-1-(4-fluorophenyl)-5,6-dimethyl-5-(2-phenylmethoxyethyl)-4H-indazole is CC1=Cc2c(cnn2-c2ccc(F)cc2)C[C@]1(C)CCOCc1ccccc1.
What is the InChIKey of (5R)-1-(4-fluorophenyl)-5,6-dimethyl-5-(2-phenylmethoxyethyl)-4H-indazole?
The InChIKey is NZMCXMDDTJSOFW-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H25FN2O/c1-18-14-23-20(16-26-27(23)22-10-8-21(25)9-11-22)15-24(18,2)12-13-28-17-19-6-4-3-5-7-19/h3-11,14,16H,12-13,15,17H2,1-2H3/t24-/m0/s1.
What are the key properties of (5R)-1-(4-fluorophenyl)-5,6-dimethyl-5-(2-phenylmethoxyethyl)-4H-indazole?
(5R)-1-(4-fluorophenyl)-5,6-dimethyl-5-(2-phenylmethoxyethyl)-4H-indazole has a molecular weight of 376.48 g/mol, XLogP of 5.58, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-(4-fluorophenyl)-5,6-dimethyl-5-(2-phenylmethoxyethyl)-4H-indazole is sourced from PubChem (CID 15605580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).