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

C23H22F3N5O3S — CID 155825790

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

2-[6-(4-methylphenyl)triazolo[1,5-a]pyridin-3-yl]-4-(1,3-thiazol-2-ylmethyl)morpholine;2,2,2-trifluoroacetic acid (PubChem CID 155825790) has the molecular formula C23H22F3N5O3S and a molecular weight of 505.52 g/mol. Its IUPAC name is 2-[6-(4-methylphenyl)triazolo[1,5-a]pyridin-3-yl]-4-(1,3-thiazol-2-ylmethyl)morpholine;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 2-[6-(4-methylphenyl)triazolo[1,5-a]pyridin-3-yl]-4-(1,3-thiazol-2-ylmethyl)morpholine;2,2,2-trifluoroacetic acid
• PubChem CID: 155825790
• Molecular Formula: C23H22F3N5O3S
• Molecular Weight: 505.52 g/mol
• Exact Mass: 505.14
• IUPAC Name: 2-[6-(4-methylphenyl)triazolo[1,5-a]pyridin-3-yl]-4-(1,3-thiazol-2-ylmethyl)morpholine;2,2,2-trifluoroacetic acid
• SMILES: Cc1ccc(-c2ccc3c(C4CN(Cc5nccs5)CCO4)nnn3c2)cc1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C21H21N5OS.C2HF3O2/c1-15-2-4-16(5-3-15)17-6-7-18-21(23-24-26(18)12-17)19-13-25(9-10-27-19)14-20-22-8-11-28-20;3-2(4,5)1(6)7/h2-8,11-12,19H,9-10,13-14H2,1H3;(H,6,7)
• InChIKey: UCGRNWFBPKHRGQ-UHFFFAOYSA-N
• XLogP: 4.37
• TPSA: 92.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.52
LogP ≤ 5	4.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 2-[6-(4-methylphenyl)triazolo[1,5-a]pyridin-3-yl]-4-(1,3-thiazol-2-ylmethyl)morpholine;2,2,2-trifluoroacetic acid (CID 155825790) is 2-[6-(4-methylphenyl)triazolo[1,5-a]pyridin-3-yl]-4-(1,3-thiazol-2-ylmethyl)morpholine;2,2,2-trifluoroacetic acid.

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

The canonical SMILES for 2-[6-(4-methylphenyl)triazolo[1,5-a]pyridin-3-yl]-4-(1,3-thiazol-2-ylmethyl)morpholine;2,2,2-trifluoroacetic acid is Cc1ccc(-c2ccc3c(C4CN(Cc5nccs5)CCO4)nnn3c2)cc1.O=C(O)C(F)(F)F.

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

The InChIKey is UCGRNWFBPKHRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5OS.C2HF3O2/c1-15-2-4-16(5-3-15)17-6-7-18-21(23-24-26(18)12-17)19-13-25(9-10-27-19)14-20-22-8-11-28-20;3-2(4,5)1(6)7/h2-8,11-12,19H,9-10,13-14H2,1H3;(H,6,7).

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

2-[6-(4-methylphenyl)triazolo[1,5-a]pyridin-3-yl]-4-(1,3-thiazol-2-ylmethyl)morpholine;2,2,2-trifluoroacetic acid has a molecular weight of 505.52 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-(4-methylphenyl)triazolo[1,5-a]pyridin-3-yl]-4-(1,3-thiazol-2-ylmethyl)morpholine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155825790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).