[4-(6-anilino-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]-thiophen-2-ylmethanone;2,2,2-trifluoroacetic acid

C24H22F3N5O3S — CID 155833117

About [4-(6-anilino-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]-thiophen-2-ylmethanone;2,2,2-trifluoroacetic acid

[4-(6-anilino-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]-thiophen-2-ylmethanone;2,2,2-trifluoroacetic acid (PubChem CID 155833117) has the molecular formula C24H22F3N5O3S and a molecular weight of 517.53 g/mol. Its IUPAC name is [4-(6-anilino-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]-thiophen-2-ylmethanone;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: [4-(6-anilino-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]-thiophen-2-ylmethanone;2,2,2-trifluoroacetic acid
• PubChem CID: 155833117
• Molecular Formula: C24H22F3N5O3S
• Molecular Weight: 517.53 g/mol
• Exact Mass: 517.14
• IUPAC Name: [4-(6-anilino-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]-thiophen-2-ylmethanone;2,2,2-trifluoroacetic acid
• SMILES: O=C(O)C(F)(F)F.O=C(c1cccs1)N1CCC(c2nc3ccc(Nc4ccccc4)cn3n2)CC1
• InChI: InChI=1S/C22H21N5OS.C2HF3O2/c28-22(19-7-4-14-29-19)26-12-10-16(11-13-26)21-24-20-9-8-18(15-27(20)25-21)23-17-5-2-1-3-6-17;3-2(4,5)1(6)7/h1-9,14-16,23H,10-13H2;(H,6,7)
• InChIKey: FBZUNXAXGGCENW-UHFFFAOYSA-N
• XLogP: 5.19
• TPSA: 99.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	517.53
LogP ≤ 5	5.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [4-(6-anilino-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]-thiophen-2-ylmethanone;2,2,2-trifluoroacetic acid?

The IUPAC name of [4-(6-anilino-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]-thiophen-2-ylmethanone;2,2,2-trifluoroacetic acid (CID 155833117) is [4-(6-anilino-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]-thiophen-2-ylmethanone;2,2,2-trifluoroacetic acid.

What is the SMILES notation for [4-(6-anilino-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]-thiophen-2-ylmethanone;2,2,2-trifluoroacetic acid?

The canonical SMILES for [4-(6-anilino-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]-thiophen-2-ylmethanone;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=C(c1cccs1)N1CCC(c2nc3ccc(Nc4ccccc4)cn3n2)CC1.

What is the InChIKey of [4-(6-anilino-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]-thiophen-2-ylmethanone;2,2,2-trifluoroacetic acid?

The InChIKey is FBZUNXAXGGCENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5OS.C2HF3O2/c28-22(19-7-4-14-29-19)26-12-10-16(11-13-26)21-24-20-9-8-18(15-27(20)25-21)23-17-5-2-1-3-6-17;3-2(4,5)1(6)7/h1-9,14-16,23H,10-13H2;(H,6,7).

What are the key properties of [4-(6-anilino-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]-thiophen-2-ylmethanone;2,2,2-trifluoroacetic acid?

[4-(6-anilino-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]-thiophen-2-ylmethanone;2,2,2-trifluoroacetic acid has a molecular weight of 517.53 g/mol, XLogP of 5.19, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(6-anilino-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]-thiophen-2-ylmethanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155833117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).