5-[(2R)-2-ethoxy-2-phenylethyl]-1-(4-fluorophenyl)-5-methyl-6-phenyl-4H-indazole

C30H29FN2O — CID 66919542

IUPAC5-[(2R)-2-ethoxy-2-phenylethyl]-1-(4-fluorophenyl)-5-methyl-6-phenyl-4H-indazole
SMILESCCO[C@H](CC1(C)Cc2cnn(-c3ccc(F)cc3)c2C=C1c1ccccc1)c1ccccc1
InChIInChI=1S/C30H29FN2O/c1-3-34-29(23-12-8-5-9-13-23)20-30(2)19-24-21-32-33(26-16-14-25(31)15-17-26)28(24)18-27(30)22-10-6-4-7-11-22/h4-18,21,29H,3,19-20H2,1-2H3/t29-,30?/m1/s1
InChIKeyGWWSGODBBJLPAU-IDCGIGBZSA-N
MW452.57 g/mol
LogP7.28
Rot. Bonds7

About 5-[(2R)-2-ethoxy-2-phenylethyl]-1-(4-fluorophenyl)-5-methyl-6-phenyl-4H-indazole

5-[(2R)-2-ethoxy-2-phenylethyl]-1-(4-fluorophenyl)-5-methyl-6-phenyl-4H-indazole (PubChem CID 66919542) has the molecular formula C30H29FN2O and a molecular weight of 452.57 g/mol. Its IUPAC name is 5-[(2R)-2-ethoxy-2-phenylethyl]-1-(4-fluorophenyl)-5-methyl-6-phenyl-4H-indazole.

Molecular Properties

Compound Name5-[(2R)-2-ethoxy-2-phenylethyl]-1-(4-fluorophenyl)-5-methyl-6-phenyl-4H-indazole
PubChem CID66919542
Molecular FormulaC30H29FN2O
Molecular Weight452.57 g/mol
Exact Mass452.23
IUPAC Name5-[(2R)-2-ethoxy-2-phenylethyl]-1-(4-fluorophenyl)-5-methyl-6-phenyl-4H-indazole
SMILESCCO[C@H](CC1(C)Cc2cnn(-c3ccc(F)cc3)c2C=C1c1ccccc1)c1ccccc1
InChIInChI=1S/C30H29FN2O/c1-3-34-29(23-12-8-5-9-13-23)20-30(2)19-24-21-32-33(26-16-14-25(31)15-17-26)28(24)18-27(30)22-10-6-4-7-11-22/h4-18,21,29H,3,19-20H2,1-2H3/t29-,30?/m1/s1
InChIKeyGWWSGODBBJLPAU-IDCGIGBZSA-N
XLogP7.28
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.57
LogP ≤ 57.28
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-4H-indazole
CID 66919437
(5R)-5-[2-ethoxy-2-(3-methylphenyl)ethyl]-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazole
CID 15605047
1-(4-fluorophenyl)-2-[(5S)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]ethanol
CID 66919502
2-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-1-(2-methoxyphenyl)ethanol
CID 66919428
(5R)-1-(4-fluorophenyl)-5-(2-methoxy-2-naphthalen-1-ylethyl)-5,6-dimethyl-4H-indazole
CID 15604975
1-(4-fluorophenyl)-5,6-dimethyl-5-(2-phenylethenyl)-4H-indazole
CID 66919534
N-benzyl-2-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]ethanamine
CID 66919606
1-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-2-phenylethanone
CID 66919599
(1S)-1-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-2-phenylethanol
CID 15605657
2-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-1-(3-methylthiophen-2-yl)ethanol
CID 66919344
(4aS)-1-(4-fluorophenyl)-4a,7-dimethyl-4H-cyclopenta[f]indazol-5-one
CID 58713685
2-[1-(4-fluorophenyl)-4a-methyl-5-(2-methylpropoxymethyl)-6,7-dihydro-4H-cyclopenta[f]indazol-5-yl]-1-phenylethanol
CID 91192428

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-ethoxy-2-phenylethyl]-1-(4-fluorophenyl)-5-methyl-6-phenyl-4H-indazole?
The IUPAC name of 5-[(2R)-2-ethoxy-2-phenylethyl]-1-(4-fluorophenyl)-5-methyl-6-phenyl-4H-indazole (CID 66919542) is 5-[(2R)-2-ethoxy-2-phenylethyl]-1-(4-fluorophenyl)-5-methyl-6-phenyl-4H-indazole.
What is the SMILES notation for 5-[(2R)-2-ethoxy-2-phenylethyl]-1-(4-fluorophenyl)-5-methyl-6-phenyl-4H-indazole?
The canonical SMILES for 5-[(2R)-2-ethoxy-2-phenylethyl]-1-(4-fluorophenyl)-5-methyl-6-phenyl-4H-indazole is CCO[C@H](CC1(C)Cc2cnn(-c3ccc(F)cc3)c2C=C1c1ccccc1)c1ccccc1.
What is the InChIKey of 5-[(2R)-2-ethoxy-2-phenylethyl]-1-(4-fluorophenyl)-5-methyl-6-phenyl-4H-indazole?
The InChIKey is GWWSGODBBJLPAU-IDCGIGBZSA-N. The full InChI is InChI=1S/C30H29FN2O/c1-3-34-29(23-12-8-5-9-13-23)20-30(2)19-24-21-32-33(26-16-14-25(31)15-17-26)28(24)18-27(30)22-10-6-4-7-11-22/h4-18,21,29H,3,19-20H2,1-2H3/t29-,30?/m1/s1.
What are the key properties of 5-[(2R)-2-ethoxy-2-phenylethyl]-1-(4-fluorophenyl)-5-methyl-6-phenyl-4H-indazole?
5-[(2R)-2-ethoxy-2-phenylethyl]-1-(4-fluorophenyl)-5-methyl-6-phenyl-4H-indazole has a molecular weight of 452.57 g/mol, XLogP of 7.28, 7 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-6-phenyl-4H-indazole is sourced from PubChem (CID 66919542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).