[3-cyano-6-(4,4-difluoropiperidin-1-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate

C14H11F5N4O3S — CID 166792897

IUPAC[3-cyano-6-(4,4-difluoropiperidin-1-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate
SMILESN#Cc1cnn2cc(N3CCC(F)(F)CC3)cc(OS(=O)(=O)C(F)(F)F)c12
InChIInChI=1S/C14H11F5N4O3S/c15-13(16)1-3-22(4-2-13)10-5-11(26-27(24,25)14(17,18)19)12-9(6-20)7-21-23(12)8-10/h5,7-8H,1-4H2
InChIKeyDZGBIDSQGOOPBW-UHFFFAOYSA-N
MW410.32 g/mol
LogP2.67
Rot. Bonds3

About [3-cyano-6-(4,4-difluoropiperidin-1-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate

[3-cyano-6-(4,4-difluoropiperidin-1-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate (PubChem CID 166792897) has the molecular formula C14H11F5N4O3S and a molecular weight of 410.32 g/mol. Its IUPAC name is [3-cyano-6-(4,4-difluoropiperidin-1-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate.

Molecular Properties

Compound Name[3-cyano-6-(4,4-difluoropiperidin-1-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate
PubChem CID166792897
Molecular FormulaC14H11F5N4O3S
Molecular Weight410.32 g/mol
Exact Mass410.05
IUPAC Name[3-cyano-6-(4,4-difluoropiperidin-1-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate
SMILESN#Cc1cnn2cc(N3CCC(F)(F)CC3)cc(OS(=O)(=O)C(F)(F)F)c12
InChIInChI=1S/C14H11F5N4O3S/c15-13(16)1-3-22(4-2-13)10-5-11(26-27(24,25)14(17,18)19)12-9(6-20)7-21-23(12)8-10/h5,7-8H,1-4H2
InChIKeyDZGBIDSQGOOPBW-UHFFFAOYSA-N
XLogP2.67
TPSA87.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.32
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Related Compounds

(3-cyanopyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate
CID 172794526
tert-butyl piperazine-1-carboxylate;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate
CID 175714476
tert-butyl (3S)-3-[4-[3-cyano-4-(trifluoromethylsulfonyloxy)pyrazolo[1,5-a]pyridin-6-yl]pyrazol-1-yl]pyrrolidine-1-carboxylate
CID 171847795
6-[4-(4-methylpiperazin-1-yl)phenyl]-4-(trifluoromethylsulfanyloxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 162725459
[3-cyano-5-methyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazin-6-yl] trifluoromethanesulfonate
CID 86594742
4-bromo-6-[(2-hydroxy-2-methylpropyl)sulfonimidoyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 155296316
6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-4-(4-pyrimidin-2-yloxycyclohexyl)oxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 176919221
3-chloro-N-[1-[5-[3-cyano-6-(4-hydroxy-4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide
CID 167072242
N-[5-[3-cyano-6-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]oxy-2-pyridinyl]prop-2-enamide
CID 171521116
[1-[4-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)phenyl]-4-formylpiperidin-4-yl]carbamic acid
CID 134496858
4-[6-[4-[fluoro(phenyl)methyl]-4-hydroxypiperidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435752
N-[[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-hydroxypiperidin-4-yl]methyl]benzenesulfonamide
CID 134435425

Frequently Asked Questions

What is the IUPAC name of [3-cyano-6-(4,4-difluoropiperidin-1-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate?
The IUPAC name of [3-cyano-6-(4,4-difluoropiperidin-1-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate (CID 166792897) is [3-cyano-6-(4,4-difluoropiperidin-1-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate.
What is the SMILES notation for [3-cyano-6-(4,4-difluoropiperidin-1-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate?
The canonical SMILES for [3-cyano-6-(4,4-difluoropiperidin-1-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate is N#Cc1cnn2cc(N3CCC(F)(F)CC3)cc(OS(=O)(=O)C(F)(F)F)c12.
What is the InChIKey of [3-cyano-6-(4,4-difluoropiperidin-1-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate?
The InChIKey is DZGBIDSQGOOPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F5N4O3S/c15-13(16)1-3-22(4-2-13)10-5-11(26-27(24,25)14(17,18)19)12-9(6-20)7-21-23(12)8-10/h5,7-8H,1-4H2.
What are the key properties of [3-cyano-6-(4,4-difluoropiperidin-1-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate?
[3-cyano-6-(4,4-difluoropiperidin-1-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate has a molecular weight of 410.32 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-cyano-6-(4,4-difluoropiperidin-1-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate is sourced from PubChem (CID 166792897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).