4-(furan-3-ylmethyl)-2-[6-(4-methoxyphenyl)triazolo[1,5-a]pyridin-3-yl]morpholine;2,2,2-trifluoroacetic acid

C24H23F3N4O5 — CID 155850841

About 4-(furan-3-ylmethyl)-2-[6-(4-methoxyphenyl)triazolo[1,5-a]pyridin-3-yl]morpholine;2,2,2-trifluoroacetic acid

4-(furan-3-ylmethyl)-2-[6-(4-methoxyphenyl)triazolo[1,5-a]pyridin-3-yl]morpholine;2,2,2-trifluoroacetic acid (PubChem CID 155850841) has the molecular formula C24H23F3N4O5 and a molecular weight of 504.47 g/mol. Its IUPAC name is 4-(furan-3-ylmethyl)-2-[6-(4-methoxyphenyl)triazolo[1,5-a]pyridin-3-yl]morpholine;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 4-(furan-3-ylmethyl)-2-[6-(4-methoxyphenyl)triazolo[1,5-a]pyridin-3-yl]morpholine;2,2,2-trifluoroacetic acid
• PubChem CID: 155850841
• Molecular Formula: C24H23F3N4O5
• Molecular Weight: 504.47 g/mol
• Exact Mass: 504.16
• IUPAC Name: 4-(furan-3-ylmethyl)-2-[6-(4-methoxyphenyl)triazolo[1,5-a]pyridin-3-yl]morpholine;2,2,2-trifluoroacetic acid
• SMILES: COc1ccc(-c2ccc3c(C4CN(Cc5ccoc5)CCO4)nnn3c2)cc1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C22H22N4O3.C2HF3O2/c1-27-19-5-2-17(3-6-19)18-4-7-20-22(23-24-26(20)13-18)21-14-25(9-11-29-21)12-16-8-10-28-15-16;3-2(4,5)1(6)7/h2-8,10,13,15,21H,9,11-12,14H2,1H3;(H,6,7)
• InChIKey: FHZCMMBXBIMQDS-UHFFFAOYSA-N
• XLogP: 4.20
• TPSA: 102.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.47
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-(furan-3-ylmethyl)-2-[6-(4-methoxyphenyl)triazolo[1,5-a]pyridin-3-yl]morpholine;2,2,2-trifluoroacetic acid?

The IUPAC name of 4-(furan-3-ylmethyl)-2-[6-(4-methoxyphenyl)triazolo[1,5-a]pyridin-3-yl]morpholine;2,2,2-trifluoroacetic acid (CID 155850841) is 4-(furan-3-ylmethyl)-2-[6-(4-methoxyphenyl)triazolo[1,5-a]pyridin-3-yl]morpholine;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 4-(furan-3-ylmethyl)-2-[6-(4-methoxyphenyl)triazolo[1,5-a]pyridin-3-yl]morpholine;2,2,2-trifluoroacetic acid?

The canonical SMILES for 4-(furan-3-ylmethyl)-2-[6-(4-methoxyphenyl)triazolo[1,5-a]pyridin-3-yl]morpholine;2,2,2-trifluoroacetic acid is COc1ccc(-c2ccc3c(C4CN(Cc5ccoc5)CCO4)nnn3c2)cc1.O=C(O)C(F)(F)F.

What is the InChIKey of 4-(furan-3-ylmethyl)-2-[6-(4-methoxyphenyl)triazolo[1,5-a]pyridin-3-yl]morpholine;2,2,2-trifluoroacetic acid?

The InChIKey is FHZCMMBXBIMQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3.C2HF3O2/c1-27-19-5-2-17(3-6-19)18-4-7-20-22(23-24-26(20)13-18)21-14-25(9-11-29-21)12-16-8-10-28-15-16;3-2(4,5)1(6)7/h2-8,10,13,15,21H,9,11-12,14H2,1H3;(H,6,7).

What are the key properties of 4-(furan-3-ylmethyl)-2-[6-(4-methoxyphenyl)triazolo[1,5-a]pyridin-3-yl]morpholine;2,2,2-trifluoroacetic acid?

4-(furan-3-ylmethyl)-2-[6-(4-methoxyphenyl)triazolo[1,5-a]pyridin-3-yl]morpholine;2,2,2-trifluoroacetic acid has a molecular weight of 504.47 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(furan-3-ylmethyl)-2-[6-(4-methoxyphenyl)triazolo[1,5-a]pyridin-3-yl]morpholine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155850841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).