5-(trifluoromethyl)-7-[3-[(3R)-1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]pyrazol-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine

C20H15F6N11 — CID 98362552

About 5-(trifluoromethyl)-7-[3-[(3R)-1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]pyrazol-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine

5-(trifluoromethyl)-7-[3-[(3R)-1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]pyrazol-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 98362552) has the molecular formula C20H15F6N11 and a molecular weight of 523.41 g/mol. Its IUPAC name is 5-(trifluoromethyl)-7-[3-[(3R)-1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]pyrazol-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

• Compound Name: 5-(trifluoromethyl)-7-[3-[(3R)-1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]pyrazol-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
• PubChem CID: 98362552
• Molecular Formula: C20H15F6N11
• Molecular Weight: 523.41 g/mol
• Exact Mass: 523.14
• IUPAC Name: 5-(trifluoromethyl)-7-[3-[(3R)-1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]pyrazol-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
• SMILES: FC(F)(F)c1cc(N2CCC[C@@H](c3ccn(-c4cc(C(F)(F)F)nc5ncnn45)n3)C2)n2ncnc2n1
• InChI: InChI=1S/C20H15F6N11/c21-19(22,23)13-6-15(36-17(31-13)27-9-29-36)34-4-1-2-11(8-34)12-3-5-35(33-12)16-7-14(20(24,25)26)32-18-28-10-30-37(16)18/h3,5-7,9-11H,1-2,4,8H2/t11-/m1/s1
• InChIKey: POGUWZZCCVGYNT-LLVKDONJSA-N
• XLogP: 3.17
• TPSA: 107.22 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 3
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	523.41
LogP ≤ 5	3.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-7-[3-[(3R)-1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]pyrazol-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?

The IUPAC name of 5-(trifluoromethyl)-7-[3-[(3R)-1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]pyrazol-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine (CID 98362552) is 5-(trifluoromethyl)-7-[3-[(3R)-1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]pyrazol-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine.

What is the SMILES notation for 5-(trifluoromethyl)-7-[3-[(3R)-1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]pyrazol-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?

The canonical SMILES for 5-(trifluoromethyl)-7-[3-[(3R)-1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]pyrazol-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine is FC(F)(F)c1cc(N2CCC[C@@H](c3ccn(-c4cc(C(F)(F)F)nc5ncnn45)n3)C2)n2ncnc2n1.

What is the InChIKey of 5-(trifluoromethyl)-7-[3-[(3R)-1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]pyrazol-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?

The InChIKey is POGUWZZCCVGYNT-LLVKDONJSA-N. The full InChI is InChI=1S/C20H15F6N11/c21-19(22,23)13-6-15(36-17(31-13)27-9-29-36)34-4-1-2-11(8-34)12-3-5-35(33-12)16-7-14(20(24,25)26)32-18-28-10-30-37(16)18/h3,5-7,9-11H,1-2,4,8H2/t11-/m1/s1.

What are the key properties of 5-(trifluoromethyl)-7-[3-[(3R)-1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]pyrazol-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?

5-(trifluoromethyl)-7-[3-[(3R)-1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]pyrazol-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 523.41 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(trifluoromethyl)-7-[3-[(3R)-1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]pyrazol-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 98362552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).