4-[2-[1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]morpholine;bis(2,2,2-trifluoroacetic acid)

C25H29F6N5O5S — CID 155848353

About 4-[2-[1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]morpholine;bis(2,2,2-trifluoroacetic acid)

4-[2-[1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]morpholine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 155848353) has the molecular formula C25H29F6N5O5S and a molecular weight of 625.59 g/mol. Its IUPAC name is 4-[2-[1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]morpholine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: 4-[2-[1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]morpholine;bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 155848353
• Molecular Formula: C25H29F6N5O5S
• Molecular Weight: 625.59 g/mol
• Exact Mass: 625.18
• IUPAC Name: 4-[2-[1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]morpholine;bis(2,2,2-trifluoroacetic acid)
• SMILES: Cc1ccsc1CN1CCCC(c2nc3ccc(N4CCOCC4)cn3n2)C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C21H27N5OS.2C2HF3O2/c1-16-6-12-28-19(16)15-24-7-2-3-17(13-24)21-22-20-5-4-18(14-26(20)23-21)25-8-10-27-11-9-25;2*3-2(4,5)1(6)7/h4-6,12,14,17H,2-3,7-11,13,15H2,1H3;2*(H,6,7)
• InChIKey: DRFJYOZEWKWEBX-UHFFFAOYSA-N
• XLogP: 4.58
• TPSA: 120.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	625.59
LogP ≤ 5	4.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]morpholine;bis(2,2,2-trifluoroacetic acid)?

The IUPAC name of 4-[2-[1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]morpholine;bis(2,2,2-trifluoroacetic acid) (CID 155848353) is 4-[2-[1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]morpholine;bis(2,2,2-trifluoroacetic acid).

What is the SMILES notation for 4-[2-[1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]morpholine;bis(2,2,2-trifluoroacetic acid)?

The canonical SMILES for 4-[2-[1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]morpholine;bis(2,2,2-trifluoroacetic acid) is Cc1ccsc1CN1CCCC(c2nc3ccc(N4CCOCC4)cn3n2)C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

What is the InChIKey of 4-[2-[1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]morpholine;bis(2,2,2-trifluoroacetic acid)?

The InChIKey is DRFJYOZEWKWEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5OS.2C2HF3O2/c1-16-6-12-28-19(16)15-24-7-2-3-17(13-24)21-22-20-5-4-18(14-26(20)23-21)25-8-10-27-11-9-25;2*3-2(4,5)1(6)7/h4-6,12,14,17H,2-3,7-11,13,15H2,1H3;2*(H,6,7).

What are the key properties of 4-[2-[1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]morpholine;bis(2,2,2-trifluoroacetic acid)?

4-[2-[1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]morpholine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 625.59 g/mol, XLogP of 4.58, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]morpholine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155848353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).