4-[1-fluoro-1-[4-(trifluoromethyl)phenyl]sulfinylethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide

C19H20F4N4O2S — CID 145127367

IUPAC4-[1-fluoro-1-[4-(trifluoromethyl)phenyl]sulfinylethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide
SMILESCC(F)(C1CCN(C(=O)Nc2ccnnc2)CC1)S(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H20F4N4O2S/c1-18(20,30(29)16-4-2-14(3-5-16)19(21,22)23)13-7-10-27(11-8-13)17(28)26-15-6-9-24-25-12-15/h2-6,9,12-13H,7-8,10-11H2,1H3,(H,24,26,28)
InChIKeyBSHWOLUEOAGWIR-UHFFFAOYSA-N
MW444.45 g/mol
LogP4.23
Rot. Bonds4

About 4-[1-fluoro-1-[4-(trifluoromethyl)phenyl]sulfinylethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide

4-[1-fluoro-1-[4-(trifluoromethyl)phenyl]sulfinylethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide (PubChem CID 145127367) has the molecular formula C19H20F4N4O2S and a molecular weight of 444.45 g/mol. Its IUPAC name is 4-[1-fluoro-1-[4-(trifluoromethyl)phenyl]sulfinylethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[1-fluoro-1-[4-(trifluoromethyl)phenyl]sulfinylethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide
PubChem CID145127367
Molecular FormulaC19H20F4N4O2S
Molecular Weight444.45 g/mol
Exact Mass444.12
IUPAC Name4-[1-fluoro-1-[4-(trifluoromethyl)phenyl]sulfinylethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide
SMILESCC(F)(C1CCN(C(=O)Nc2ccnnc2)CC1)S(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H20F4N4O2S/c1-18(20,30(29)16-4-2-14(3-5-16)19(21,22)23)13-7-10-27(11-8-13)17(28)26-15-6-9-24-25-12-15/h2-6,9,12-13H,7-8,10-11H2,1H3,(H,24,26,28)
InChIKeyBSHWOLUEOAGWIR-UHFFFAOYSA-N
XLogP4.23
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.45
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[1-fluoro-1-[4-(trifluoromethyl)phenyl]sulfinylethyl]-N-pyridazin-4-ylpiperidine-1-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

4-[1-(2-cyanophenyl)sulfinyl-1-fluoroethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide
CID 145127394
4-[1-[[6-(difluoromethoxy)-3-pyridinyl]sulfonyl]-1-fluoroethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide
CID 122424247
4-[difluoro-[2-(hydroxymethyl)phenyl]sulfonylmethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide
CID 122424240
4-[difluoro-(2-pyrazol-1-ylphenyl)sulfinylmethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide
CID 145127379
4-[2-(1-methylpyrrol-2-yl)sulfonylpropan-2-yl]-N-pyridazin-4-ylpiperidine-1-carboxamide
CID 134368515
4-[difluoro-(1-methylindazol-4-yl)sulfonylmethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide
CID 122430260
N-pyridazin-4-yl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide
CID 129488366
N-(thiadiazol-5-yl)-4-[2-[4-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidine-1-carboxamide
CID 122430689
4-[(1R)-1-fluoro-1-(3-fluorophenyl)sulfinylethyl]-N-(1,2-oxazol-3-yl)piperidine-1-carboxamide
CID 145127553
4-[(2R)-oxolane-2-carbonyl]-N-[4-[(S)-trifluoromethylsulfinyl]phenyl]piperazine-1-carboxamide
CID 96529164
(3R)-3-(triazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 99877427
(3R)-3-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 51944575

Frequently Asked Questions

What is the IUPAC name of 4-[1-fluoro-1-[4-(trifluoromethyl)phenyl]sulfinylethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide?
The IUPAC name of 4-[1-fluoro-1-[4-(trifluoromethyl)phenyl]sulfinylethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide (CID 145127367) is 4-[1-fluoro-1-[4-(trifluoromethyl)phenyl]sulfinylethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[1-fluoro-1-[4-(trifluoromethyl)phenyl]sulfinylethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide?
The canonical SMILES for 4-[1-fluoro-1-[4-(trifluoromethyl)phenyl]sulfinylethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide is CC(F)(C1CCN(C(=O)Nc2ccnnc2)CC1)S(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-[1-fluoro-1-[4-(trifluoromethyl)phenyl]sulfinylethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide?
The InChIKey is BSHWOLUEOAGWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F4N4O2S/c1-18(20,30(29)16-4-2-14(3-5-16)19(21,22)23)13-7-10-27(11-8-13)17(28)26-15-6-9-24-25-12-15/h2-6,9,12-13H,7-8,10-11H2,1H3,(H,24,26,28).
What are the key properties of 4-[1-fluoro-1-[4-(trifluoromethyl)phenyl]sulfinylethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide?
4-[1-fluoro-1-[4-(trifluoromethyl)phenyl]sulfinylethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide has a molecular weight of 444.45 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-fluoro-1-[4-(trifluoromethyl)phenyl]sulfinylethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide is sourced from PubChem (CID 145127367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).