1-[(2R)-4-[1-(4-fluorophenyl)indazol-5-yl]-2-(2-methylpropyl)piperazin-1-yl]ethanone

C23H27FN4O — CID 166916432

IUPAC1-[(2R)-4-[1-(4-fluorophenyl)indazol-5-yl]-2-(2-methylpropyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C[C@H]1CC(C)C
InChIInChI=1S/C23H27FN4O/c1-16(2)12-22-15-26(10-11-27(22)17(3)29)21-8-9-23-18(13-21)14-25-28(23)20-6-4-19(24)5-7-20/h4-9,13-14,16,22H,10-12,15H2,1-3H3/t22-/m1/s1
InChIKeyMHIKTKZTFSWEKI-JOCHJYFZSA-N
MW394.49 g/mol
LogP4.25
Rot. Bonds4

About 1-[(2R)-4-[1-(4-fluorophenyl)indazol-5-yl]-2-(2-methylpropyl)piperazin-1-yl]ethanone

1-[(2R)-4-[1-(4-fluorophenyl)indazol-5-yl]-2-(2-methylpropyl)piperazin-1-yl]ethanone (PubChem CID 166916432) has the molecular formula C23H27FN4O and a molecular weight of 394.49 g/mol. Its IUPAC name is 1-[(2R)-4-[1-(4-fluorophenyl)indazol-5-yl]-2-(2-methylpropyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2R)-4-[1-(4-fluorophenyl)indazol-5-yl]-2-(2-methylpropyl)piperazin-1-yl]ethanone
PubChem CID166916432
Molecular FormulaC23H27FN4O
Molecular Weight394.49 g/mol
Exact Mass394.22
IUPAC Name1-[(2R)-4-[1-(4-fluorophenyl)indazol-5-yl]-2-(2-methylpropyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C[C@H]1CC(C)C
InChIInChI=1S/C23H27FN4O/c1-16(2)12-22-15-26(10-11-27(22)17(3)29)21-8-9-23-18(13-21)14-25-28(23)20-6-4-19(24)5-7-20/h4-9,13-14,16,22H,10-12,15H2,1-3H3/t22-/m1/s1
InChIKeyMHIKTKZTFSWEKI-JOCHJYFZSA-N
XLogP4.25
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.49
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-4-[1-(4-fluorophenyl)indazol-5-yl]-2-(2-methylpropyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[(2R)-4-[1-(4-fluorophenyl)indazol-5-yl]-2-(2-methylpropyl)piperazin-1-yl]ethanone (CID 166916432) is 1-[(2R)-4-[1-(4-fluorophenyl)indazol-5-yl]-2-(2-methylpropyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[(2R)-4-[1-(4-fluorophenyl)indazol-5-yl]-2-(2-methylpropyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[(2R)-4-[1-(4-fluorophenyl)indazol-5-yl]-2-(2-methylpropyl)piperazin-1-yl]ethanone is CC(=O)N1CCN(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C[C@H]1CC(C)C.
What is the InChIKey of 1-[(2R)-4-[1-(4-fluorophenyl)indazol-5-yl]-2-(2-methylpropyl)piperazin-1-yl]ethanone?
The InChIKey is MHIKTKZTFSWEKI-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H27FN4O/c1-16(2)12-22-15-26(10-11-27(22)17(3)29)21-8-9-23-18(13-21)14-25-28(23)20-6-4-19(24)5-7-20/h4-9,13-14,16,22H,10-12,15H2,1-3H3/t22-/m1/s1.
What are the key properties of 1-[(2R)-4-[1-(4-fluorophenyl)indazol-5-yl]-2-(2-methylpropyl)piperazin-1-yl]ethanone?
1-[(2R)-4-[1-(4-fluorophenyl)indazol-5-yl]-2-(2-methylpropyl)piperazin-1-yl]ethanone has a molecular weight of 394.49 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-4-[1-(4-fluorophenyl)indazol-5-yl]-2-(2-methylpropyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 166916432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).