7-fluoro-6-[2,2,6,6-tetradeuterio-1-[5-(difluoromethyl)-1-methylpyrazol-4-yl]sulfonylpiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine

C16H17F3N6O2S — CID 168797544

IUPAC7-fluoro-6-[2,2,6,6-tetradeuterio-1-[5-(difluoromethyl)-1-methylpyrazol-4-yl]sulfonylpiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine
SMILES[2H]C1([2H])CC(c2cn3ncnc3cc2F)CC([2H])([2H])N1S(=O)(=O)c1cnn(C)c1C(F)F
InChIInChI=1S/C16H17F3N6O2S/c1-23-15(16(18)19)13(7-21-23)28(26,27)24-4-2-10(3-5-24)11-8-25-14(6-12(11)17)20-9-22-25/h6-10,16H,2-5H2,1H3/i4D2,5D2
InChIKeyQWCLKVAWSCULAD-CQOLUAMGSA-N
MW418.44 g/mol
LogP2.11
Rot. Bonds4

About 7-fluoro-6-[2,2,6,6-tetradeuterio-1-[5-(difluoromethyl)-1-methylpyrazol-4-yl]sulfonylpiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine

7-fluoro-6-[2,2,6,6-tetradeuterio-1-[5-(difluoromethyl)-1-methylpyrazol-4-yl]sulfonylpiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 168797544) has the molecular formula C16H17F3N6O2S and a molecular weight of 418.44 g/mol. Its IUPAC name is 7-fluoro-6-[2,2,6,6-tetradeuterio-1-[5-(difluoromethyl)-1-methylpyrazol-4-yl]sulfonylpiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name7-fluoro-6-[2,2,6,6-tetradeuterio-1-[5-(difluoromethyl)-1-methylpyrazol-4-yl]sulfonylpiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID168797544
Molecular FormulaC16H17F3N6O2S
Molecular Weight418.44 g/mol
Exact Mass418.13
IUPAC Name7-fluoro-6-[2,2,6,6-tetradeuterio-1-[5-(difluoromethyl)-1-methylpyrazol-4-yl]sulfonylpiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine
SMILES[2H]C1([2H])CC(c2cn3ncnc3cc2F)CC([2H])([2H])N1S(=O)(=O)c1cnn(C)c1C(F)F
InChIInChI=1S/C16H17F3N6O2S/c1-23-15(16(18)19)13(7-21-23)28(26,27)24-4-2-10(3-5-24)11-8-25-14(6-12(11)17)20-9-22-25/h6-10,16H,2-5H2,1H3/i4D2,5D2
InChIKeyQWCLKVAWSCULAD-CQOLUAMGSA-N
XLogP2.11
TPSA85.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.44
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-[2,2,6,6-tetradeuterio-1-[5-(difluoromethyl)-1-methylpyrazol-4-yl]sulfonylpiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 7-fluoro-6-[2,2,6,6-tetradeuterio-1-[5-(difluoromethyl)-1-methylpyrazol-4-yl]sulfonylpiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine (CID 168797544) is 7-fluoro-6-[2,2,6,6-tetradeuterio-1-[5-(difluoromethyl)-1-methylpyrazol-4-yl]sulfonylpiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 7-fluoro-6-[2,2,6,6-tetradeuterio-1-[5-(difluoromethyl)-1-methylpyrazol-4-yl]sulfonylpiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 7-fluoro-6-[2,2,6,6-tetradeuterio-1-[5-(difluoromethyl)-1-methylpyrazol-4-yl]sulfonylpiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine is [2H]C1([2H])CC(c2cn3ncnc3cc2F)CC([2H])([2H])N1S(=O)(=O)c1cnn(C)c1C(F)F.
What is the InChIKey of 7-fluoro-6-[2,2,6,6-tetradeuterio-1-[5-(difluoromethyl)-1-methylpyrazol-4-yl]sulfonylpiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is QWCLKVAWSCULAD-CQOLUAMGSA-N. The full InChI is InChI=1S/C16H17F3N6O2S/c1-23-15(16(18)19)13(7-21-23)28(26,27)24-4-2-10(3-5-24)11-8-25-14(6-12(11)17)20-9-22-25/h6-10,16H,2-5H2,1H3/i4D2,5D2.
What are the key properties of 7-fluoro-6-[2,2,6,6-tetradeuterio-1-[5-(difluoromethyl)-1-methylpyrazol-4-yl]sulfonylpiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine?
7-fluoro-6-[2,2,6,6-tetradeuterio-1-[5-(difluoromethyl)-1-methylpyrazol-4-yl]sulfonylpiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 418.44 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-[2,2,6,6-tetradeuterio-1-[5-(difluoromethyl)-1-methylpyrazol-4-yl]sulfonylpiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 168797544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).