N-[1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-2-thiophen-3-ylacetamide

C21H21FN4OS — CID 71793986

IUPACN-[1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)NC1CCN(c2ccc(-c3cccc(F)c3)nn2)CC1
InChIInChI=1S/C21H21FN4OS/c22-17-3-1-2-16(13-17)19-4-5-20(25-24-19)26-9-6-18(7-10-26)23-21(27)12-15-8-11-28-14-15/h1-5,8,11,13-14,18H,6-7,9-10,12H2,(H,23,27)
InChIKeyFBCNELSQGIPXAZ-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.67
Rot. Bonds5

About N-[1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-2-thiophen-3-ylacetamide

N-[1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-2-thiophen-3-ylacetamide (PubChem CID 71793986) has the molecular formula C21H21FN4OS and a molecular weight of 396.49 g/mol. Its IUPAC name is N-[1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-2-thiophen-3-ylacetamide
PubChem CID71793986
Molecular FormulaC21H21FN4OS
Molecular Weight396.49 g/mol
Exact Mass396.14
IUPAC NameN-[1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)NC1CCN(c2ccc(-c3cccc(F)c3)nn2)CC1
InChIInChI=1S/C21H21FN4OS/c22-17-3-1-2-16(13-17)19-4-5-20(25-24-19)26-9-6-18(7-10-26)23-21(27)12-15-8-11-28-14-15/h1-5,8,11,13-14,18H,6-7,9-10,12H2,(H,23,27)
InChIKeyFBCNELSQGIPXAZ-UHFFFAOYSA-N
XLogP3.67
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-2-thiophen-3-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-2-thiophen-3-ylacetamide?
The IUPAC name of N-[1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-2-thiophen-3-ylacetamide (CID 71793986) is N-[1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-2-thiophen-3-ylacetamide is O=C(Cc1ccsc1)NC1CCN(c2ccc(-c3cccc(F)c3)nn2)CC1.
What is the InChIKey of N-[1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-2-thiophen-3-ylacetamide?
The InChIKey is FBCNELSQGIPXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4OS/c22-17-3-1-2-16(13-17)19-4-5-20(25-24-19)26-9-6-18(7-10-26)23-21(27)12-15-8-11-28-14-15/h1-5,8,11,13-14,18H,6-7,9-10,12H2,(H,23,27).
What are the key properties of N-[1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-2-thiophen-3-ylacetamide?
N-[1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-2-thiophen-3-ylacetamide has a molecular weight of 396.49 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-2-thiophen-3-ylacetamide is sourced from PubChem (CID 71793986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).