2-[3-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-8-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol

C26H26F3N5O4 — CID 66604148

About 2-[3-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-8-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol

2-[3-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-8-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol (PubChem CID 66604148) has the molecular formula C26H26F3N5O4 and a molecular weight of 529.52 g/mol. Its IUPAC name is 2-[3-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-8-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol.

Molecular Properties

• Compound Name: 2-[3-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-8-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol
• PubChem CID: 66604148
• Molecular Formula: C26H26F3N5O4
• Molecular Weight: 529.52 g/mol
• Exact Mass: 529.19
• IUPAC Name: 2-[3-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-8-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol
• SMILES: COc1cc(-c2nnc3n2CCCC3(Oc2ccc(C(F)(F)F)nc2)C(C)(C)O)ccc1-c1cnc(C)o1
• InChI: InChI=1S/C26H26F3N5O4/c1-15-30-14-20(37-15)18-8-6-16(12-19(18)36-4)22-32-33-23-25(24(2,3)35,10-5-11-34(22)23)38-17-7-9-21(31-13-17)26(27,28)29/h6-9,12-14,35H,5,10-11H2,1-4H3
• InChIKey: OPFSEWVDPHAKTC-UHFFFAOYSA-N
• XLogP: 5.17
• TPSA: 108.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	529.52
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-8-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol?

The IUPAC name of 2-[3-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-8-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol (CID 66604148) is 2-[3-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-8-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol.

What is the SMILES notation for 2-[3-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-8-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol?

The canonical SMILES for 2-[3-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-8-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol is COc1cc(-c2nnc3n2CCCC3(Oc2ccc(C(F)(F)F)nc2)C(C)(C)O)ccc1-c1cnc(C)o1.

What is the InChIKey of 2-[3-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-8-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol?

The InChIKey is OPFSEWVDPHAKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F3N5O4/c1-15-30-14-20(37-15)18-8-6-16(12-19(18)36-4)22-32-33-23-25(24(2,3)35,10-5-11-34(22)23)38-17-7-9-21(31-13-17)26(27,28)29/h6-9,12-14,35H,5,10-11H2,1-4H3.

What are the key properties of 2-[3-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-8-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol?

2-[3-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-8-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol has a molecular weight of 529.52 g/mol, XLogP of 5.17, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-8-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol is sourced from PubChem (CID 66604148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).