2-(4-fluorophenyl)-2-hydroxy-1-[4-(1H-indazol-5-yl)piperazin-1-yl]ethanone

C19H19FN4O2 — CID 117073692

IUPAC2-(4-fluorophenyl)-2-hydroxy-1-[4-(1H-indazol-5-yl)piperazin-1-yl]ethanone
SMILESO=C(C(O)c1ccc(F)cc1)N1CCN(c2ccc3[nH]ncc3c2)CC1
InChIInChI=1S/C19H19FN4O2/c20-15-3-1-13(2-4-15)18(25)19(26)24-9-7-23(8-10-24)16-5-6-17-14(11-16)12-21-22-17/h1-6,11-12,18,25H,7-10H2,(H,21,22)
InChIKeyGXCWVROLCNNORP-UHFFFAOYSA-N
MW354.39 g/mol
LogP2.08
Rot. Bonds3

About 2-(4-fluorophenyl)-2-hydroxy-1-[4-(1H-indazol-5-yl)piperazin-1-yl]ethanone

2-(4-fluorophenyl)-2-hydroxy-1-[4-(1H-indazol-5-yl)piperazin-1-yl]ethanone (PubChem CID 117073692) has the molecular formula C19H19FN4O2 and a molecular weight of 354.39 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-hydroxy-1-[4-(1H-indazol-5-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-hydroxy-1-[4-(1H-indazol-5-yl)piperazin-1-yl]ethanone
PubChem CID117073692
Molecular FormulaC19H19FN4O2
Molecular Weight354.39 g/mol
Exact Mass354.15
IUPAC Name2-(4-fluorophenyl)-2-hydroxy-1-[4-(1H-indazol-5-yl)piperazin-1-yl]ethanone
SMILESO=C(C(O)c1ccc(F)cc1)N1CCN(c2ccc3[nH]ncc3c2)CC1
InChIInChI=1S/C19H19FN4O2/c20-15-3-1-13(2-4-15)18(25)19(26)24-9-7-23(8-10-24)16-5-6-17-14(11-16)12-21-22-17/h1-6,11-12,18,25H,7-10H2,(H,21,22)
InChIKeyGXCWVROLCNNORP-UHFFFAOYSA-N
XLogP2.08
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2-hydroxy-1-[4-(1H-indazol-5-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-fluorophenyl)-2-hydroxy-1-[4-(1H-indazol-5-yl)piperazin-1-yl]ethanone (CID 117073692) is 2-(4-fluorophenyl)-2-hydroxy-1-[4-(1H-indazol-5-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-2-hydroxy-1-[4-(1H-indazol-5-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-2-hydroxy-1-[4-(1H-indazol-5-yl)piperazin-1-yl]ethanone is O=C(C(O)c1ccc(F)cc1)N1CCN(c2ccc3[nH]ncc3c2)CC1.
What is the InChIKey of 2-(4-fluorophenyl)-2-hydroxy-1-[4-(1H-indazol-5-yl)piperazin-1-yl]ethanone?
The InChIKey is GXCWVROLCNNORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O2/c20-15-3-1-13(2-4-15)18(25)19(26)24-9-7-23(8-10-24)16-5-6-17-14(11-16)12-21-22-17/h1-6,11-12,18,25H,7-10H2,(H,21,22).
What are the key properties of 2-(4-fluorophenyl)-2-hydroxy-1-[4-(1H-indazol-5-yl)piperazin-1-yl]ethanone?
2-(4-fluorophenyl)-2-hydroxy-1-[4-(1H-indazol-5-yl)piperazin-1-yl]ethanone has a molecular weight of 354.39 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2-hydroxy-1-[4-(1H-indazol-5-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 117073692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).