[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]-thiophen-2-ylmethanone

C19H17FN4OS — CID 42110663

IUPAC[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1
InChIInChI=1S/C19H17FN4OS/c20-15-5-3-14(4-6-15)16-7-8-18(22-21-16)23-9-11-24(12-10-23)19(25)17-2-1-13-26-17/h1-8,13H,9-12H2
InChIKeyZQPKZPJZCHDVDQ-UHFFFAOYSA-N
MW368.44 g/mol
LogP3.31
Rot. Bonds3

About [4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]-thiophen-2-ylmethanone

[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]-thiophen-2-ylmethanone (PubChem CID 42110663) has the molecular formula C19H17FN4OS and a molecular weight of 368.44 g/mol. Its IUPAC name is [4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]-thiophen-2-ylmethanone
PubChem CID42110663
Molecular FormulaC19H17FN4OS
Molecular Weight368.44 g/mol
Exact Mass368.11
IUPAC Name[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1
InChIInChI=1S/C19H17FN4OS/c20-15-5-3-14(4-6-15)16-7-8-18(22-21-16)23-9-11-24(12-10-23)19(25)17-2-1-13-26-17/h1-8,13H,9-12H2
InChIKeyZQPKZPJZCHDVDQ-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 [4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]-thiophen-2-ylmethanone (CID 42110663) is [4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1.
What is the InChIKey of [4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is ZQPKZPJZCHDVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4OS/c20-15-5-3-14(4-6-15)16-7-8-18(22-21-16)23-9-11-24(12-10-23)19(25)17-2-1-13-26-17/h1-8,13H,9-12H2.
What are the key properties of [4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]-thiophen-2-ylmethanone?
[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]-thiophen-2-ylmethanone 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 [4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 42110663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).