5-[(2R)-2-ethoxy-2-phenylethyl]-1-(4-fluorophenyl)-5-methyl-4H-indazole

C24H25FN2O — CID 66919437

IUPAC5-[(2R)-2-ethoxy-2-phenylethyl]-1-(4-fluorophenyl)-5-methyl-4H-indazole
SMILESCCO[C@H](CC1(C)C=Cc2c(cnn2-c2ccc(F)cc2)C1)c1ccccc1
InChIInChI=1S/C24H25FN2O/c1-3-28-23(18-7-5-4-6-8-18)16-24(2)14-13-22-19(15-24)17-26-27(22)21-11-9-20(25)10-12-21/h4-14,17,23H,3,15-16H2,1-2H3/t23-,24?/m1/s1
InChIKeyWOPGZFODXFLDOL-MIHMCVIASA-N
MW376.48 g/mol
LogP5.75
Rot. Bonds6

About 5-[(2R)-2-ethoxy-2-phenylethyl]-1-(4-fluorophenyl)-5-methyl-4H-indazole

5-[(2R)-2-ethoxy-2-phenylethyl]-1-(4-fluorophenyl)-5-methyl-4H-indazole (PubChem CID 66919437) has the molecular formula C24H25FN2O and a molecular weight of 376.48 g/mol. Its IUPAC name is 5-[(2R)-2-ethoxy-2-phenylethyl]-1-(4-fluorophenyl)-5-methyl-4H-indazole.

Molecular Properties

Compound Name5-[(2R)-2-ethoxy-2-phenylethyl]-1-(4-fluorophenyl)-5-methyl-4H-indazole
PubChem CID66919437
Molecular FormulaC24H25FN2O
Molecular Weight376.48 g/mol
Exact Mass376.20
IUPAC Name5-[(2R)-2-ethoxy-2-phenylethyl]-1-(4-fluorophenyl)-5-methyl-4H-indazole
SMILESCCO[C@H](CC1(C)C=Cc2c(cnn2-c2ccc(F)cc2)C1)c1ccccc1
InChIInChI=1S/C24H25FN2O/c1-3-28-23(18-7-5-4-6-8-18)16-24(2)14-13-22-19(15-24)17-26-27(22)21-11-9-20(25)10-12-21/h4-14,17,23H,3,15-16H2,1-2H3/t23-,24?/m1/s1
InChIKeyWOPGZFODXFLDOL-MIHMCVIASA-N
XLogP5.75
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 ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2R)-2-ethoxy-2-phenylethyl]-1-(4-fluorophenyl)-5-methyl-6-phenyl-4H-indazole
CID 66919542
(5R)-5-[2-ethoxy-2-(3-methylphenyl)ethyl]-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazole
CID 15605047
1-[1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]-4-methyl-4-phenylpentan-2-ol
CID 66919562
N-[[(5S)-1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]methyl]-2-phenylacetamide
CID 66919372
(2R)-1-[1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]-2-methyl-4-phenylbutan-2-ol
CID 66919420
N-[[1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]methyl]-1-phenylcyclopropane-1-carboxamide
CID 66919657
(1S)-1-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-2-phenylethanol
CID 15605657
1-(4-fluorophenyl)-5,6-dimethyl-5-(2-phenylethenyl)-4H-indazole
CID 66919534
(4R)-4-[(2R)-2-ethoxy-2-phenylethyl]-4-methylcyclohex-2-en-1-one
CID 71427913
1-(4-fluorophenyl)-2-[(5S)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]ethanol
CID 66919502
2-[(5R)-1-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-indazol-5-yl]-1-phenylethanol
CID 15605439
(5R)-1-(4-fluorophenyl)-5-(2-methoxy-2-naphthalen-1-ylethyl)-5,6-dimethyl-4H-indazole
CID 15604975

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-ethoxy-2-phenylethyl]-1-(4-fluorophenyl)-5-methyl-4H-indazole?
The IUPAC name of 5-[(2R)-2-ethoxy-2-phenylethyl]-1-(4-fluorophenyl)-5-methyl-4H-indazole (CID 66919437) is 5-[(2R)-2-ethoxy-2-phenylethyl]-1-(4-fluorophenyl)-5-methyl-4H-indazole.
What is the SMILES notation for 5-[(2R)-2-ethoxy-2-phenylethyl]-1-(4-fluorophenyl)-5-methyl-4H-indazole?
The canonical SMILES for 5-[(2R)-2-ethoxy-2-phenylethyl]-1-(4-fluorophenyl)-5-methyl-4H-indazole is CCO[C@H](CC1(C)C=Cc2c(cnn2-c2ccc(F)cc2)C1)c1ccccc1.
What is the InChIKey of 5-[(2R)-2-ethoxy-2-phenylethyl]-1-(4-fluorophenyl)-5-methyl-4H-indazole?
The InChIKey is WOPGZFODXFLDOL-MIHMCVIASA-N. The full InChI is InChI=1S/C24H25FN2O/c1-3-28-23(18-7-5-4-6-8-18)16-24(2)14-13-22-19(15-24)17-26-27(22)21-11-9-20(25)10-12-21/h4-14,17,23H,3,15-16H2,1-2H3/t23-,24?/m1/s1.
What are the key properties of 5-[(2R)-2-ethoxy-2-phenylethyl]-1-(4-fluorophenyl)-5-methyl-4H-indazole?
5-[(2R)-2-ethoxy-2-phenylethyl]-1-(4-fluorophenyl)-5-methyl-4H-indazole has a molecular weight of 376.48 g/mol, XLogP of 5.75, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-2-ethoxy-2-phenylethyl]-1-(4-fluorophenyl)-5-methyl-4H-indazole is sourced from PubChem (CID 66919437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).