1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(5-nitrosoindazol-1-yl)ethanone

C19H18FN5O2 — CID 142843340

IUPAC1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(5-nitrosoindazol-1-yl)ethanone
SMILESO=Nc1ccc2c(cnn2CC(=O)N2CCN(c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C19H18FN5O2/c20-15-1-4-17(5-2-15)23-7-9-24(10-8-23)19(26)13-25-18-6-3-16(22-27)11-14(18)12-21-25/h1-6,11-12H,7-10,13H2
InChIKeyOWKHJCOLXYTNIY-UHFFFAOYSA-N
MW367.38 g/mol
LogP2.92
Rot. Bonds4

About 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(5-nitrosoindazol-1-yl)ethanone

1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(5-nitrosoindazol-1-yl)ethanone (PubChem CID 142843340) has the molecular formula C19H18FN5O2 and a molecular weight of 367.38 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(5-nitrosoindazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(5-nitrosoindazol-1-yl)ethanone
PubChem CID142843340
Molecular FormulaC19H18FN5O2
Molecular Weight367.38 g/mol
Exact Mass367.14
IUPAC Name1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(5-nitrosoindazol-1-yl)ethanone
SMILESO=Nc1ccc2c(cnn2CC(=O)N2CCN(c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C19H18FN5O2/c20-15-1-4-17(5-2-15)23-7-9-24(10-8-23)19(26)13-25-18-6-3-16(22-27)11-14(18)12-21-25/h1-6,11-12H,7-10,13H2
InChIKeyOWKHJCOLXYTNIY-UHFFFAOYSA-N
XLogP2.92
TPSA70.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(5-nitrosoindazol-1-yl)ethanone?
The IUPAC name of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(5-nitrosoindazol-1-yl)ethanone (CID 142843340) is 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(5-nitrosoindazol-1-yl)ethanone.
What is the SMILES notation for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(5-nitrosoindazol-1-yl)ethanone?
The canonical SMILES for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(5-nitrosoindazol-1-yl)ethanone is O=Nc1ccc2c(cnn2CC(=O)N2CCN(c3ccc(F)cc3)CC2)c1.
What is the InChIKey of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(5-nitrosoindazol-1-yl)ethanone?
The InChIKey is OWKHJCOLXYTNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O2/c20-15-1-4-17(5-2-15)23-7-9-24(10-8-23)19(26)13-25-18-6-3-16(22-27)11-14(18)12-21-25/h1-6,11-12H,7-10,13H2.
What are the key properties of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(5-nitrosoindazol-1-yl)ethanone?
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(5-nitrosoindazol-1-yl)ethanone has a molecular weight of 367.38 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(5-nitrosoindazol-1-yl)ethanone is sourced from PubChem (CID 142843340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).