7-(1,1-difluoroethyl)-2-ethylsulfonyl-3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine

C17H13F5N6O2S — CID 177235937

IUPAC7-(1,1-difluoroethyl)-2-ethylsulfonyl-3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine
SMILESCCS(=O)(=O)c1nn2c(C(C)(F)F)ccnc2c1-c1nc2cc(C(F)(F)F)ccn2n1
InChIInChI=1S/C17H13F5N6O2S/c1-3-31(29,30)15-12(14-23-6-4-10(16(2,18)19)28(14)26-15)13-24-11-8-9(17(20,21)22)5-7-27(11)25-13/h4-8H,3H2,1-2H3
InChIKeyJBIOYDCBRAXOKT-UHFFFAOYSA-N
MW460.39 g/mol
LogP3.36
Rot. Bonds4

About 7-(1,1-difluoroethyl)-2-ethylsulfonyl-3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine

7-(1,1-difluoroethyl)-2-ethylsulfonyl-3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine (PubChem CID 177235937) has the molecular formula C17H13F5N6O2S and a molecular weight of 460.39 g/mol. Its IUPAC name is 7-(1,1-difluoroethyl)-2-ethylsulfonyl-3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(1,1-difluoroethyl)-2-ethylsulfonyl-3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine
PubChem CID177235937
Molecular FormulaC17H13F5N6O2S
Molecular Weight460.39 g/mol
Exact Mass460.07
IUPAC Name7-(1,1-difluoroethyl)-2-ethylsulfonyl-3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine
SMILESCCS(=O)(=O)c1nn2c(C(C)(F)F)ccnc2c1-c1nc2cc(C(F)(F)F)ccn2n1
InChIInChI=1S/C17H13F5N6O2S/c1-3-31(29,30)15-12(14-23-6-4-10(16(2,18)19)28(14)26-15)13-24-11-8-9(17(20,21)22)5-7-27(11)25-13/h4-8H,3H2,1-2H3
InChIKeyJBIOYDCBRAXOKT-UHFFFAOYSA-N
XLogP3.36
TPSA94.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.39
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 7-(1,1-difluoroethyl)-2-ethylsulfonyl-3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine 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

N-cyclopropyl-2-ethylsulfonyl-N-methyl-3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 177235912
4-[2-ethylsulfonyl-3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
CID 177235886
3-[[2-ethylsulfonyl-3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]propanenitrile
CID 177235933
[7-cyclopropyl-3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidin-2-yl]-ethyl-imino-oxo-λ6-sulfane
CID 177235854
N-cyclopropyl-2-ethylsulfonyl-3-[6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 177236448
2-[2-ethylsulfonyl-7-(1,2,4-triazol-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidine
CID 155738825
ethyl 2-[[2-ethylsulfonyl-3-[6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]-2-oxoacetate
CID 177236008
5-ethylsulfonyl-2-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carbaldehyde
CID 155730508
7-cyclopropyl-2-ethylsulfonyl-3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine
CID 177235949
2-[3-ethylsulfonyl-5-[6-[1-(trifluoromethyl)cyclopropyl]-3-pyridinyl]-2-pyridinyl]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 168854033
2-ethylsulfonyl-3-[5-(2,2,3,3,3-pentafluoropropoxy)pyrazin-2-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 165394081
7-(azetidin-1-yl)-2-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine
CID 177235952

Frequently Asked Questions

What is the IUPAC name of 7-(1,1-difluoroethyl)-2-ethylsulfonyl-3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(1,1-difluoroethyl)-2-ethylsulfonyl-3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine (CID 177235937) is 7-(1,1-difluoroethyl)-2-ethylsulfonyl-3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(1,1-difluoroethyl)-2-ethylsulfonyl-3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(1,1-difluoroethyl)-2-ethylsulfonyl-3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine is CCS(=O)(=O)c1nn2c(C(C)(F)F)ccnc2c1-c1nc2cc(C(F)(F)F)ccn2n1.
What is the InChIKey of 7-(1,1-difluoroethyl)-2-ethylsulfonyl-3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is JBIOYDCBRAXOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F5N6O2S/c1-3-31(29,30)15-12(14-23-6-4-10(16(2,18)19)28(14)26-15)13-24-11-8-9(17(20,21)22)5-7-27(11)25-13/h4-8H,3H2,1-2H3.
What are the key properties of 7-(1,1-difluoroethyl)-2-ethylsulfonyl-3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine?
7-(1,1-difluoroethyl)-2-ethylsulfonyl-3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 460.39 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,1-difluoroethyl)-2-ethylsulfonyl-3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 177235937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).