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

C19H18F3N7O3S — CID 177235886

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

4-[2-ethylsulfonyl-3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine (PubChem CID 177235886) has the molecular formula C19H18F3N7O3S and a molecular weight of 481.46 g/mol. Its IUPAC name is 4-[2-ethylsulfonyl-3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine.

Molecular Properties

• Compound Name: 4-[2-ethylsulfonyl-3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
• PubChem CID: 177235886
• Molecular Formula: C19H18F3N7O3S
• Molecular Weight: 481.46 g/mol
• Exact Mass: 481.11
• IUPAC Name: 4-[2-ethylsulfonyl-3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
• SMILES: CCS(=O)(=O)c1nn2c(N3CCOCC3)ccnc2c1-c1nc2cc(C(F)(F)F)ccn2n1
• InChI: InChI=1S/C19H18F3N7O3S/c1-2-33(30,31)18-15(16-24-13-11-12(19(20,21)22)4-6-28(13)25-16)17-23-5-3-14(29(17)26-18)27-7-9-32-10-8-27/h3-6,11H,2,7-10H2,1H3
• InChIKey: CSQDRQWILTYTGV-UHFFFAOYSA-N
• XLogP: 2.09
• TPSA: 106.99 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.46
LogP ≤ 5	2.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 4-[2-ethylsulfonyl-3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine?

The IUPAC name of 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) is 4-[2-ethylsulfonyl-3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine.

What is the SMILES notation for 4-[2-ethylsulfonyl-3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine?

The canonical SMILES for 4-[2-ethylsulfonyl-3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine is CCS(=O)(=O)c1nn2c(N3CCOCC3)ccnc2c1-c1nc2cc(C(F)(F)F)ccn2n1.

What is the InChIKey of 4-[2-ethylsulfonyl-3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine?

The InChIKey is CSQDRQWILTYTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N7O3S/c1-2-33(30,31)18-15(16-24-13-11-12(19(20,21)22)4-6-28(13)25-16)17-23-5-3-14(29(17)26-18)27-7-9-32-10-8-27/h3-6,11H,2,7-10H2,1H3.

What are the key properties of 4-[2-ethylsulfonyl-3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine?

4-[2-ethylsulfonyl-3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine has a molecular weight of 481.46 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-ethylsulfonyl-3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine is sourced from PubChem (CID 177235886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).