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

C24H25FN2O — CID 15604897

IUPAC(5R)-1-(4-fluorophenyl)-5-(2-methoxy-2-phenylethyl)-5,6-dimethyl-4H-indazole
SMILESCOC(C[C@@]1(C)Cc2cnn(-c3ccc(F)cc3)c2C=C1C)c1ccccc1
InChIInChI=1S/C24H25FN2O/c1-17-13-22-19(16-26-27(22)21-11-9-20(25)10-12-21)14-24(17,2)15-23(28-3)18-7-5-4-6-8-18/h4-13,16,23H,14-15H2,1-3H3/t23?,24-/m1/s1
InChIKeyDCQBFXIZDSNMNS-XMMISQBUSA-N
MW376.48 g/mol
LogP5.75
Rot. Bonds5

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

(5R)-1-(4-fluorophenyl)-5-(2-methoxy-2-phenylethyl)-5,6-dimethyl-4H-indazole (PubChem CID 15604897) has the molecular formula C24H25FN2O and a molecular weight of 376.48 g/mol. Its IUPAC name is (5R)-1-(4-fluorophenyl)-5-(2-methoxy-2-phenylethyl)-5,6-dimethyl-4H-indazole.

Molecular Properties

Compound Name(5R)-1-(4-fluorophenyl)-5-(2-methoxy-2-phenylethyl)-5,6-dimethyl-4H-indazole
PubChem CID15604897
Molecular FormulaC24H25FN2O
Molecular Weight376.48 g/mol
Exact Mass376.20
IUPAC Name(5R)-1-(4-fluorophenyl)-5-(2-methoxy-2-phenylethyl)-5,6-dimethyl-4H-indazole
SMILESCOC(C[C@@]1(C)Cc2cnn(-c3ccc(F)cc3)c2C=C1C)c1ccccc1
InChIInChI=1S/C24H25FN2O/c1-17-13-22-19(16-26-27(22)21-11-9-20(25)10-12-21)14-24(17,2)15-23(28-3)18-7-5-4-6-8-18/h4-13,16,23H,14-15H2,1-3H3/t23?,24-/m1/s1
InChIKeyDCQBFXIZDSNMNS-XMMISQBUSA-N
XLogP5.75
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.48
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5R)-1-(4-fluorophenyl)-5-(2-methoxy-2-phenylethyl)-5,6-dimethyl-4H-indazole 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 (5R)-1-(4-fluorophenyl)-5-(2-methoxy-2-phenylethyl)-5,6-dimethyl-4H-indazole?
The IUPAC name of (5R)-1-(4-fluorophenyl)-5-(2-methoxy-2-phenylethyl)-5,6-dimethyl-4H-indazole (CID 15604897) is (5R)-1-(4-fluorophenyl)-5-(2-methoxy-2-phenylethyl)-5,6-dimethyl-4H-indazole.
What is the SMILES notation for (5R)-1-(4-fluorophenyl)-5-(2-methoxy-2-phenylethyl)-5,6-dimethyl-4H-indazole?
The canonical SMILES for (5R)-1-(4-fluorophenyl)-5-(2-methoxy-2-phenylethyl)-5,6-dimethyl-4H-indazole is COC(C[C@@]1(C)Cc2cnn(-c3ccc(F)cc3)c2C=C1C)c1ccccc1.
What is the InChIKey of (5R)-1-(4-fluorophenyl)-5-(2-methoxy-2-phenylethyl)-5,6-dimethyl-4H-indazole?
The InChIKey is DCQBFXIZDSNMNS-XMMISQBUSA-N. The full InChI is InChI=1S/C24H25FN2O/c1-17-13-22-19(16-26-27(22)21-11-9-20(25)10-12-21)14-24(17,2)15-23(28-3)18-7-5-4-6-8-18/h4-13,16,23H,14-15H2,1-3H3/t23?,24-/m1/s1.
What are the key properties of (5R)-1-(4-fluorophenyl)-5-(2-methoxy-2-phenylethyl)-5,6-dimethyl-4H-indazole?
(5R)-1-(4-fluorophenyl)-5-(2-methoxy-2-phenylethyl)-5,6-dimethyl-4H-indazole has a molecular weight of 376.48 g/mol, XLogP of 5.75, 5 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-(2-methoxy-2-phenylethyl)-5,6-dimethyl-4H-indazole is sourced from PubChem (CID 15604897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).