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1-(4-fluorophenyl)-5-[(1R,2S)-3-imidazol-1-yl-2-methyl-1-phenylpropoxy]indazole

C26H23FN4O — CID 141215620

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-(4-fluorophenyl)-5-[(1R,2S)-3-imidazol-1-yl-2-methyl-1-phenylpropoxy]indazole
SMILESC[C@@H](Cn1ccnc1)[C@@H](Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1ccccc1
InChIInChI=1S/C26H23FN4O/c1-19(17-30-14-13-28-18-30)26(20-5-3-2-4-6-20)32-24-11-12-25-21(15-24)16-29-31(25)23-9-7-22(27)8-10-23/h2-16,18-19,26H,17H2,1H3/t19-,26+/m0/s1
InChIKeyLBVGXGNNTOWXTB-AFMDSPMNSA-N
MW426.50 g/mol
LogP5.82
Rot. Bonds7

About 1-(4-fluorophenyl)-5-[(1R,2S)-3-imidazol-1-yl-2-methyl-1-phenylpropoxy]indazole

1-(4-fluorophenyl)-5-[(1R,2S)-3-imidazol-1-yl-2-methyl-1-phenylpropoxy]indazole (PubChem CID 141215620) has the molecular formula C26H23FN4O and a molecular weight of 426.50 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-[(1R,2S)-3-imidazol-1-yl-2-methyl-1-phenylpropoxy]indazole.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-[(1R,2S)-3-imidazol-1-yl-2-methyl-1-phenylpropoxy]indazole
PubChem CID141215620
Molecular FormulaC26H23FN4O
Molecular Weight426.50 g/mol
Exact Mass426.19
IUPAC Name1-(4-fluorophenyl)-5-[(1R,2S)-3-imidazol-1-yl-2-methyl-1-phenylpropoxy]indazole
SMILESC[C@@H](Cn1ccnc1)[C@@H](Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1ccccc1
InChIInChI=1S/C26H23FN4O/c1-19(17-30-14-13-28-18-30)26(20-5-3-2-4-6-20)32-24-11-12-25-21(15-24)16-29-31(25)23-9-7-22(27)8-10-23/h2-16,18-19,26H,17H2,1H3/t19-,26+/m0/s1
InChIKeyLBVGXGNNTOWXTB-AFMDSPMNSA-N
XLogP5.82
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.50
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-[(1R,2S)-3-imidazol-1-yl-2-methyl-1-phenylpropoxy]indazole?
The IUPAC name of 1-(4-fluorophenyl)-5-[(1R,2S)-3-imidazol-1-yl-2-methyl-1-phenylpropoxy]indazole (CID 141215620) is 1-(4-fluorophenyl)-5-[(1R,2S)-3-imidazol-1-yl-2-methyl-1-phenylpropoxy]indazole.
What is the SMILES notation for 1-(4-fluorophenyl)-5-[(1R,2S)-3-imidazol-1-yl-2-methyl-1-phenylpropoxy]indazole?
The canonical SMILES for 1-(4-fluorophenyl)-5-[(1R,2S)-3-imidazol-1-yl-2-methyl-1-phenylpropoxy]indazole is C[C@@H](Cn1ccnc1)[C@@H](Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1ccccc1.
What is the InChIKey of 1-(4-fluorophenyl)-5-[(1R,2S)-3-imidazol-1-yl-2-methyl-1-phenylpropoxy]indazole?
The InChIKey is LBVGXGNNTOWXTB-AFMDSPMNSA-N. The full InChI is InChI=1S/C26H23FN4O/c1-19(17-30-14-13-28-18-30)26(20-5-3-2-4-6-20)32-24-11-12-25-21(15-24)16-29-31(25)23-9-7-22(27)8-10-23/h2-16,18-19,26H,17H2,1H3/t19-,26+/m0/s1.
What are the key properties of 1-(4-fluorophenyl)-5-[(1R,2S)-3-imidazol-1-yl-2-methyl-1-phenylpropoxy]indazole?
1-(4-fluorophenyl)-5-[(1R,2S)-3-imidazol-1-yl-2-methyl-1-phenylpropoxy]indazole has a molecular weight of 426.50 g/mol, XLogP of 5.82, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-[(1R,2S)-3-imidazol-1-yl-2-methyl-1-phenylpropoxy]indazole is sourced from PubChem (CID 141215620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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