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

C19H18F2N4O2 — CID 117073677

IUPAC2-(2,4-difluorophenyl)-2-hydroxy-1-[4-(1H-indazol-5-yl)piperazin-1-yl]ethanone
SMILESO=C(C(O)c1ccc(F)cc1F)N1CCN(c2ccc3[nH]ncc3c2)CC1
InChIInChI=1S/C19H18F2N4O2/c20-13-1-3-15(16(21)10-13)18(26)19(27)25-7-5-24(6-8-25)14-2-4-17-12(9-14)11-22-23-17/h1-4,9-11,18,26H,5-8H2,(H,22,23)
InChIKeyHUWSTSWVRHASNH-UHFFFAOYSA-N
MW372.38 g/mol
LogP2.22
Rot. Bonds3

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

2-(2,4-difluorophenyl)-2-hydroxy-1-[4-(1H-indazol-5-yl)piperazin-1-yl]ethanone (PubChem CID 117073677) has the molecular formula C19H18F2N4O2 and a molecular weight of 372.38 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-2-hydroxy-1-[4-(1H-indazol-5-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-2-hydroxy-1-[4-(1H-indazol-5-yl)piperazin-1-yl]ethanone
PubChem CID117073677
Molecular FormulaC19H18F2N4O2
Molecular Weight372.38 g/mol
Exact Mass372.14
IUPAC Name2-(2,4-difluorophenyl)-2-hydroxy-1-[4-(1H-indazol-5-yl)piperazin-1-yl]ethanone
SMILESO=C(C(O)c1ccc(F)cc1F)N1CCN(c2ccc3[nH]ncc3c2)CC1
InChIInChI=1S/C19H18F2N4O2/c20-13-1-3-15(16(21)10-13)18(26)19(27)25-7-5-24(6-8-25)14-2-4-17-12(9-14)11-22-23-17/h1-4,9-11,18,26H,5-8H2,(H,22,23)
InChIKeyHUWSTSWVRHASNH-UHFFFAOYSA-N
XLogP2.22
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-2-hydroxy-1-[4-(1H-indazol-5-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(2,4-difluorophenyl)-2-hydroxy-1-[4-(1H-indazol-5-yl)piperazin-1-yl]ethanone (CID 117073677) is 2-(2,4-difluorophenyl)-2-hydroxy-1-[4-(1H-indazol-5-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2,4-difluorophenyl)-2-hydroxy-1-[4-(1H-indazol-5-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(2,4-difluorophenyl)-2-hydroxy-1-[4-(1H-indazol-5-yl)piperazin-1-yl]ethanone is O=C(C(O)c1ccc(F)cc1F)N1CCN(c2ccc3[nH]ncc3c2)CC1.
What is the InChIKey of 2-(2,4-difluorophenyl)-2-hydroxy-1-[4-(1H-indazol-5-yl)piperazin-1-yl]ethanone?
The InChIKey is HUWSTSWVRHASNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4O2/c20-13-1-3-15(16(21)10-13)18(26)19(27)25-7-5-24(6-8-25)14-2-4-17-12(9-14)11-22-23-17/h1-4,9-11,18,26H,5-8H2,(H,22,23).
What are the key properties of 2-(2,4-difluorophenyl)-2-hydroxy-1-[4-(1H-indazol-5-yl)piperazin-1-yl]ethanone?
2-(2,4-difluorophenyl)-2-hydroxy-1-[4-(1H-indazol-5-yl)piperazin-1-yl]ethanone has a molecular weight of 372.38 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-2-hydroxy-1-[4-(1H-indazol-5-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 117073677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).