4-[1-[[6-(difluoromethoxy)-3-pyridinyl]sulfonyl]-1-fluoroethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide

C18H20F3N5O4S — CID 122424247

IUPAC4-[1-[[6-(difluoromethoxy)-3-pyridinyl]sulfonyl]-1-fluoroethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide
SMILESCC(F)(C1CCN(C(=O)Nc2ccnnc2)CC1)S(=O)(=O)c1ccc(OC(F)F)nc1
InChIInChI=1S/C18H20F3N5O4S/c1-18(21,31(28,29)14-2-3-15(22-11-14)30-16(19)20)12-5-8-26(9-6-12)17(27)25-13-4-7-23-24-10-13/h2-4,7,10-12,16H,5-6,8-9H2,1H3,(H,23,25,27)
InChIKeyRRKCHVGUPROOJC-UHFFFAOYSA-N
MW459.45 g/mol
LogP2.88
Rot. Bonds6

About 4-[1-[[6-(difluoromethoxy)-3-pyridinyl]sulfonyl]-1-fluoroethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide

4-[1-[[6-(difluoromethoxy)-3-pyridinyl]sulfonyl]-1-fluoroethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide (PubChem CID 122424247) has the molecular formula C18H20F3N5O4S and a molecular weight of 459.45 g/mol. Its IUPAC name is 4-[1-[[6-(difluoromethoxy)-3-pyridinyl]sulfonyl]-1-fluoroethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[1-[[6-(difluoromethoxy)-3-pyridinyl]sulfonyl]-1-fluoroethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide
PubChem CID122424247
Molecular FormulaC18H20F3N5O4S
Molecular Weight459.45 g/mol
Exact Mass459.12
IUPAC Name4-[1-[[6-(difluoromethoxy)-3-pyridinyl]sulfonyl]-1-fluoroethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide
SMILESCC(F)(C1CCN(C(=O)Nc2ccnnc2)CC1)S(=O)(=O)c1ccc(OC(F)F)nc1
InChIInChI=1S/C18H20F3N5O4S/c1-18(21,31(28,29)14-2-3-15(22-11-14)30-16(19)20)12-5-8-26(9-6-12)17(27)25-13-4-7-23-24-10-13/h2-4,7,10-12,16H,5-6,8-9H2,1H3,(H,23,25,27)
InChIKeyRRKCHVGUPROOJC-UHFFFAOYSA-N
XLogP2.88
TPSA114.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.45
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[1-[[6-(difluoromethoxy)-3-pyridinyl]sulfonyl]-1-fluoroethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide with MolForge

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Related Compounds

4-[(1R)-1-fluoro-1-[[6-(1-fluoroethoxy)-3-pyridinyl]sulfonyl]ethyl]-N-(1,2-oxazol-3-yl)piperidine-1-carboxamide
CID 134368534
4-[1-fluoro-1-[(6-methoxy-3-pyridinyl)sulfonyl]ethyl]piperidine-1-carboxylic acid
CID 122424268
4-[1-fluoro-1-[4-(trifluoromethyl)phenyl]sulfinylethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide
CID 145127367
4-[difluoro-[2-(hydroxymethyl)phenyl]sulfonylmethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide
CID 122424240
4-[2-(1-methylpyrrol-2-yl)sulfonylpropan-2-yl]-N-pyridazin-4-ylpiperidine-1-carboxamide
CID 134368515
4-[1-fluoro-1-(3-fluorophenyl)sulfonylethyl]piperidine;4-[1-fluoro-1-(3-fluorophenyl)sulfonylethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;phenyl 2-pyridazin-4-ylacetate
CID 157096892
4-[difluoro-(1-methylindazol-4-yl)sulfonylmethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide
CID 122430260
4-[1-(2-cyanophenyl)sulfinyl-1-fluoroethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide
CID 145127394
tert-butyl 4-[1-fluoro-1-[(6-methoxy-3-pyridinyl)sulfonyl]ethyl]piperidine-1-carboxylate;5-(1-fluoro-1-piperidin-4-ylethyl)sulfonyl-2-methoxypyridine;dihydrochloride
CID 158298513
N-(6-cyano-3-pyridinyl)-4-[(1R)-1-fluoro-1-(3-fluorophenyl)sulfonylethyl]piperidine-1-carboxamide
CID 122430747
N-(6-cyano-3-pyridinyl)-4-[1-[3-(difluoromethyl)-1-methylpyrazol-4-yl]sulfonyl-1-fluoroethyl]piperidine-1-carboxamide
CID 122484415
4-[1-fluoro-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonylethyl]-N-(6-fluoro-3-pyridinyl)piperidine-1-carboxamide
CID 122430677

Frequently Asked Questions

What is the IUPAC name of 4-[1-[[6-(difluoromethoxy)-3-pyridinyl]sulfonyl]-1-fluoroethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide?
The IUPAC name of 4-[1-[[6-(difluoromethoxy)-3-pyridinyl]sulfonyl]-1-fluoroethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide (CID 122424247) is 4-[1-[[6-(difluoromethoxy)-3-pyridinyl]sulfonyl]-1-fluoroethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[1-[[6-(difluoromethoxy)-3-pyridinyl]sulfonyl]-1-fluoroethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide?
The canonical SMILES for 4-[1-[[6-(difluoromethoxy)-3-pyridinyl]sulfonyl]-1-fluoroethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide is CC(F)(C1CCN(C(=O)Nc2ccnnc2)CC1)S(=O)(=O)c1ccc(OC(F)F)nc1.
What is the InChIKey of 4-[1-[[6-(difluoromethoxy)-3-pyridinyl]sulfonyl]-1-fluoroethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide?
The InChIKey is RRKCHVGUPROOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N5O4S/c1-18(21,31(28,29)14-2-3-15(22-11-14)30-16(19)20)12-5-8-26(9-6-12)17(27)25-13-4-7-23-24-10-13/h2-4,7,10-12,16H,5-6,8-9H2,1H3,(H,23,25,27).
What are the key properties of 4-[1-[[6-(difluoromethoxy)-3-pyridinyl]sulfonyl]-1-fluoroethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide?
4-[1-[[6-(difluoromethoxy)-3-pyridinyl]sulfonyl]-1-fluoroethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide has a molecular weight of 459.45 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[6-(difluoromethoxy)-3-pyridinyl]sulfonyl]-1-fluoroethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide is sourced from PubChem (CID 122424247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).