(2-fluorophenyl)-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone

C19H17FN4OS — CID 41233226

IUPAC(2-fluorophenyl)-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone
SMILESO=C(c1ccccc1F)N1CCN(c2ccc(-c3cccs3)nn2)CC1
InChIInChI=1S/C19H17FN4OS/c20-15-5-2-1-4-14(15)19(25)24-11-9-23(10-12-24)18-8-7-16(21-22-18)17-6-3-13-26-17/h1-8,13H,9-12H2
InChIKeyNJJSUWUKRNALDN-UHFFFAOYSA-N
MW368.44 g/mol
LogP3.31
Rot. Bonds3

About (2-fluorophenyl)-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone

(2-fluorophenyl)-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone (PubChem CID 41233226) has the molecular formula C19H17FN4OS and a molecular weight of 368.44 g/mol. Its IUPAC name is (2-fluorophenyl)-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone
PubChem CID41233226
Molecular FormulaC19H17FN4OS
Molecular Weight368.44 g/mol
Exact Mass368.11
IUPAC Name(2-fluorophenyl)-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone
SMILESO=C(c1ccccc1F)N1CCN(c2ccc(-c3cccs3)nn2)CC1
InChIInChI=1S/C19H17FN4OS/c20-15-5-2-1-4-14(15)19(25)24-11-9-23(10-12-24)18-8-7-16(21-22-18)17-6-3-13-26-17/h1-8,13H,9-12H2
InChIKeyNJJSUWUKRNALDN-UHFFFAOYSA-N
XLogP3.31
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The IUPAC name of (2-fluorophenyl)-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone (CID 41233226) is (2-fluorophenyl)-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-fluorophenyl)-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The canonical SMILES for (2-fluorophenyl)-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone is O=C(c1ccccc1F)N1CCN(c2ccc(-c3cccs3)nn2)CC1.
What is the InChIKey of (2-fluorophenyl)-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The InChIKey is NJJSUWUKRNALDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4OS/c20-15-5-2-1-4-14(15)19(25)24-11-9-23(10-12-24)18-8-7-16(21-22-18)17-6-3-13-26-17/h1-8,13H,9-12H2.
What are the key properties of (2-fluorophenyl)-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone?
(2-fluorophenyl)-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone has a molecular weight of 368.44 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 41233226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).