N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide

C22H21F3N6O2S — CID 24581332

IUPACN-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide
SMILESO=C(C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1)N(Cc1ccco1)Cc1cccs1
InChIInChI=1S/C22H21F3N6O2S/c23-22(24,25)21-27-26-18-5-6-19(28-31(18)21)29-9-7-15(8-10-29)20(32)30(13-16-3-1-11-33-16)14-17-4-2-12-34-17/h1-6,11-12,15H,7-10,13-14H2
InChIKeyZHQGTGZPMGJITK-UHFFFAOYSA-N
MW490.51 g/mol
LogP4.24
Rot. Bonds6

About N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide

N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide (PubChem CID 24581332) has the molecular formula C22H21F3N6O2S and a molecular weight of 490.51 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide
PubChem CID24581332
Molecular FormulaC22H21F3N6O2S
Molecular Weight490.51 g/mol
Exact Mass490.14
IUPAC NameN-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide
SMILESO=C(C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1)N(Cc1ccco1)Cc1cccs1
InChIInChI=1S/C22H21F3N6O2S/c23-22(24,25)21-27-26-18-5-6-19(28-31(18)21)29-9-7-15(8-10-29)20(32)30(13-16-3-1-11-33-16)14-17-4-2-12-34-17/h1-6,11-12,15H,7-10,13-14H2
InChIKeyZHQGTGZPMGJITK-UHFFFAOYSA-N
XLogP4.24
TPSA79.77 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.51
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-benzyl-N-(furan-2-ylmethyl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide
CID 55477874
N-[1-(furan-2-yl)propan-2-yl]-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide
CID 55614473
N-butyl-N-ethyl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide
CID 55478543
6-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 35903039
N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 60938375
N-ethyl-N-(thiophen-2-ylmethyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 38005375
N-methyl-N-[(2-methylphenyl)methyl]-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide
CID 18150885
N-(2-methylpropyl)-N-propan-2-yl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide
CID 55602186
N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide
CID 55661871
N-(furan-2-ylmethyl)-1-[(E)-3-phenylprop-2-enoyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 43009560
N-(furan-2-ylmethyl)-1-pyrazin-2-yl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 47024928
N-[2-(2-fluorophenoxy)ethyl]-N-methyl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide
CID 36940819

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide (CID 24581332) is N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide is O=C(C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1)N(Cc1ccco1)Cc1cccs1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide?
The InChIKey is ZHQGTGZPMGJITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N6O2S/c23-22(24,25)21-27-26-18-5-6-19(28-31(18)21)29-9-7-15(8-10-29)20(32)30(13-16-3-1-11-33-16)14-17-4-2-12-34-17/h1-6,11-12,15H,7-10,13-14H2.
What are the key properties of N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide?
N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide has a molecular weight of 490.51 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide is sourced from PubChem (CID 24581332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).