3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-1,3-diphenylpropan-1-one

C30H25FN2O — CID 24937095

IUPAC3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-1,3-diphenylpropan-1-one
SMILESCC(C)(C(=O)c1ccccc1)C(c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1
InChIInChI=1S/C30H25FN2O/c1-30(2,29(34)22-11-7-4-8-12-22)28(21-9-5-3-6-10-21)23-13-18-27-24(19-23)20-32-33(27)26-16-14-25(31)15-17-26/h3-20,28H,1-2H3
InChIKeyZNXRLXXLZAOGDZ-UHFFFAOYSA-N
MW448.54 g/mol
LogP7.21
Rot. Bonds6

About 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-1,3-diphenylpropan-1-one

3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-1,3-diphenylpropan-1-one (PubChem CID 24937095) has the molecular formula C30H25FN2O and a molecular weight of 448.54 g/mol. Its IUPAC name is 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-1,3-diphenylpropan-1-one.

Molecular Properties

Compound Name3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-1,3-diphenylpropan-1-one
PubChem CID24937095
Molecular FormulaC30H25FN2O
Molecular Weight448.54 g/mol
Exact Mass448.20
IUPAC Name3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-1,3-diphenylpropan-1-one
SMILESCC(C)(C(=O)c1ccccc1)C(c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1
InChIInChI=1S/C30H25FN2O/c1-30(2,29(34)22-11-7-4-8-12-22)28(21-9-5-3-6-10-21)23-13-18-27-24(19-23)20-32-33(27)26-16-14-25(31)15-17-26/h3-20,28H,1-2H3
InChIKeyZNXRLXXLZAOGDZ-UHFFFAOYSA-N
XLogP7.21
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.54
LogP ≤ 57.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-1,3-diphenylpropan-1-one?
The IUPAC name of 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-1,3-diphenylpropan-1-one (CID 24937095) is 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-1,3-diphenylpropan-1-one.
What is the SMILES notation for 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-1,3-diphenylpropan-1-one?
The canonical SMILES for 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-1,3-diphenylpropan-1-one is CC(C)(C(=O)c1ccccc1)C(c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1.
What is the InChIKey of 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-1,3-diphenylpropan-1-one?
The InChIKey is ZNXRLXXLZAOGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25FN2O/c1-30(2,29(34)22-11-7-4-8-12-22)28(21-9-5-3-6-10-21)23-13-18-27-24(19-23)20-32-33(27)26-16-14-25(31)15-17-26/h3-20,28H,1-2H3.
What are the key properties of 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-1,3-diphenylpropan-1-one?
3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-1,3-diphenylpropan-1-one has a molecular weight of 448.54 g/mol, XLogP of 7.21, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-1,3-diphenylpropan-1-one is sourced from PubChem (CID 24937095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).