2-[2-[4-[[2-(trifluoromethoxy)-4-pyridinyl]amino]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]-4-pyridinyl]propan-2-ol

C23H17F6N7O2 — CID 156710565

About 2-[2-[4-[[2-(trifluoromethoxy)-4-pyridinyl]amino]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]-4-pyridinyl]propan-2-ol

2-[2-[4-[[2-(trifluoromethoxy)-4-pyridinyl]amino]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]-4-pyridinyl]propan-2-ol (PubChem CID 156710565) has the molecular formula C23H17F6N7O2 and a molecular weight of 537.42 g/mol. Its IUPAC name is 2-[2-[4-[[2-(trifluoromethoxy)-4-pyridinyl]amino]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]-4-pyridinyl]propan-2-ol.

Molecular Properties

• Compound Name: 2-[2-[4-[[2-(trifluoromethoxy)-4-pyridinyl]amino]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]-4-pyridinyl]propan-2-ol
• PubChem CID: 156710565
• Molecular Formula: C23H17F6N7O2
• Molecular Weight: 537.42 g/mol
• Exact Mass: 537.13
• IUPAC Name: 2-[2-[4-[[2-(trifluoromethoxy)-4-pyridinyl]amino]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]-4-pyridinyl]propan-2-ol
• SMILES: CC(C)(O)c1ccnc(-c2nc(Nc3ccnc(OC(F)(F)F)c3)nc(-c3cccc(C(F)(F)F)n3)n2)c1
• InChI: InChI=1S/C23H17F6N7O2/c1-21(2,37)12-6-8-30-15(10-12)19-34-18(14-4-3-5-16(33-14)22(24,25)26)35-20(36-19)32-13-7-9-31-17(11-13)38-23(27,28)29/h3-11,37H,1-2H3,(H,31,32,34,35,36)
• InChIKey: FDGSAXBIELSXCL-UHFFFAOYSA-N
• XLogP: 5.28
• TPSA: 118.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	537.42
LogP ≤ 5	5.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[[2-(trifluoromethoxy)-4-pyridinyl]amino]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]-4-pyridinyl]propan-2-ol?

The IUPAC name of 2-[2-[4-[[2-(trifluoromethoxy)-4-pyridinyl]amino]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]-4-pyridinyl]propan-2-ol (CID 156710565) is 2-[2-[4-[[2-(trifluoromethoxy)-4-pyridinyl]amino]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]-4-pyridinyl]propan-2-ol.

What is the SMILES notation for 2-[2-[4-[[2-(trifluoromethoxy)-4-pyridinyl]amino]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]-4-pyridinyl]propan-2-ol?

The canonical SMILES for 2-[2-[4-[[2-(trifluoromethoxy)-4-pyridinyl]amino]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]-4-pyridinyl]propan-2-ol is CC(C)(O)c1ccnc(-c2nc(Nc3ccnc(OC(F)(F)F)c3)nc(-c3cccc(C(F)(F)F)n3)n2)c1.

What is the InChIKey of 2-[2-[4-[[2-(trifluoromethoxy)-4-pyridinyl]amino]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]-4-pyridinyl]propan-2-ol?

The InChIKey is FDGSAXBIELSXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F6N7O2/c1-21(2,37)12-6-8-30-15(10-12)19-34-18(14-4-3-5-16(33-14)22(24,25)26)35-20(36-19)32-13-7-9-31-17(11-13)38-23(27,28)29/h3-11,37H,1-2H3,(H,31,32,34,35,36).

What are the key properties of 2-[2-[4-[[2-(trifluoromethoxy)-4-pyridinyl]amino]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]-4-pyridinyl]propan-2-ol?

2-[2-[4-[[2-(trifluoromethoxy)-4-pyridinyl]amino]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]-4-pyridinyl]propan-2-ol has a molecular weight of 537.42 g/mol, XLogP of 5.28, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[4-[[2-(trifluoromethoxy)-4-pyridinyl]amino]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]-4-pyridinyl]propan-2-ol is sourced from PubChem (CID 156710565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).