5-(2,2-difluoroethoxy)-N-(1-methylsulfonylpiperidin-4-yl)-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C17H21F2N7O3S — CID 175814581

IUPAC5-(2,2-difluoroethoxy)-N-(1-methylsulfonylpiperidin-4-yl)-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCS(=O)(=O)N1CCC(Nc2nc3cc(-c4cn[nH]c4)cc(OCC(F)F)n3n2)CC1
InChIInChI=1S/C17H21F2N7O3S/c1-30(27,28)25-4-2-13(3-5-25)22-17-23-15-6-11(12-8-20-21-9-12)7-16(26(15)24-17)29-10-14(18)19/h6-9,13-14H,2-5,10H2,1H3,(H,20,21)(H,22,24)
InChIKeyWUBZBUBUOGPFLF-UHFFFAOYSA-N
MW441.46 g/mol
LogP1.60
Rot. Bonds7

About 5-(2,2-difluoroethoxy)-N-(1-methylsulfonylpiperidin-4-yl)-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

5-(2,2-difluoroethoxy)-N-(1-methylsulfonylpiperidin-4-yl)-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 175814581) has the molecular formula C17H21F2N7O3S and a molecular weight of 441.46 g/mol. Its IUPAC name is 5-(2,2-difluoroethoxy)-N-(1-methylsulfonylpiperidin-4-yl)-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name5-(2,2-difluoroethoxy)-N-(1-methylsulfonylpiperidin-4-yl)-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID175814581
Molecular FormulaC17H21F2N7O3S
Molecular Weight441.46 g/mol
Exact Mass441.14
IUPAC Name5-(2,2-difluoroethoxy)-N-(1-methylsulfonylpiperidin-4-yl)-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCS(=O)(=O)N1CCC(Nc2nc3cc(-c4cn[nH]c4)cc(OCC(F)F)n3n2)CC1
InChIInChI=1S/C17H21F2N7O3S/c1-30(27,28)25-4-2-13(3-5-25)22-17-23-15-6-11(12-8-20-21-9-12)7-16(26(15)24-17)29-10-14(18)19/h6-9,13-14H,2-5,10H2,1H3,(H,20,21)(H,22,24)
InChIKeyWUBZBUBUOGPFLF-UHFFFAOYSA-N
XLogP1.60
TPSA117.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.46
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-difluoroethoxy)-N-(1-methylsulfonylpiperidin-4-yl)-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 5-(2,2-difluoroethoxy)-N-(1-methylsulfonylpiperidin-4-yl)-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 175814581) is 5-(2,2-difluoroethoxy)-N-(1-methylsulfonylpiperidin-4-yl)-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 5-(2,2-difluoroethoxy)-N-(1-methylsulfonylpiperidin-4-yl)-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 5-(2,2-difluoroethoxy)-N-(1-methylsulfonylpiperidin-4-yl)-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is CS(=O)(=O)N1CCC(Nc2nc3cc(-c4cn[nH]c4)cc(OCC(F)F)n3n2)CC1.
What is the InChIKey of 5-(2,2-difluoroethoxy)-N-(1-methylsulfonylpiperidin-4-yl)-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is WUBZBUBUOGPFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2N7O3S/c1-30(27,28)25-4-2-13(3-5-25)22-17-23-15-6-11(12-8-20-21-9-12)7-16(26(15)24-17)29-10-14(18)19/h6-9,13-14H,2-5,10H2,1H3,(H,20,21)(H,22,24).
What are the key properties of 5-(2,2-difluoroethoxy)-N-(1-methylsulfonylpiperidin-4-yl)-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
5-(2,2-difluoroethoxy)-N-(1-methylsulfonylpiperidin-4-yl)-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 441.46 g/mol, XLogP of 1.60, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-difluoroethoxy)-N-(1-methylsulfonylpiperidin-4-yl)-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 175814581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).