[3-fluoro-2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl 4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate

C24H24F5N5O3S — CID 175350628

About [3-fluoro-2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl 4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate

[3-fluoro-2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl 4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate (PubChem CID 175350628) has the molecular formula C24H24F5N5O3S and a molecular weight of 557.55 g/mol. Its IUPAC name is [3-fluoro-2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl 4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate.

Molecular Properties

• Compound Name: [3-fluoro-2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl 4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate
• PubChem CID: 175350628
• Molecular Formula: C24H24F5N5O3S
• Molecular Weight: 557.55 g/mol
• Exact Mass: 557.15
• IUPAC Name: [3-fluoro-2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl 4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate
• SMILES: CC1CC(Cc2nc(Nc3nccs3)ccc2F)(C(=O)OCc2ccnc(OCC(F)(F)F)c2F)CCN1
• InChI: InChI=1S/C24H24F5N5O3S/c1-14-10-23(5-7-30-14,11-17-16(25)2-3-18(33-17)34-22-32-8-9-38-22)21(35)36-12-15-4-6-31-20(19(15)26)37-13-24(27,28)29/h2-4,6,8-9,14,30H,5,7,10-13H2,1H3,(H,32,33,34)
• InChIKey: AZNVDIBNIVSYJE-UHFFFAOYSA-N
• XLogP: 4.94
• TPSA: 98.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	557.55
LogP ≤ 5	4.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl 4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate?

The IUPAC name of [3-fluoro-2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl 4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate (CID 175350628) is [3-fluoro-2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl 4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate.

What is the SMILES notation for [3-fluoro-2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl 4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate?

The canonical SMILES for [3-fluoro-2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl 4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate is CC1CC(Cc2nc(Nc3nccs3)ccc2F)(C(=O)OCc2ccnc(OCC(F)(F)F)c2F)CCN1.

What is the InChIKey of [3-fluoro-2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl 4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate?

The InChIKey is AZNVDIBNIVSYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F5N5O3S/c1-14-10-23(5-7-30-14,11-17-16(25)2-3-18(33-17)34-22-32-8-9-38-22)21(35)36-12-15-4-6-31-20(19(15)26)37-13-24(27,28)29/h2-4,6,8-9,14,30H,5,7,10-13H2,1H3,(H,32,33,34).

What are the key properties of [3-fluoro-2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl 4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate?

[3-fluoro-2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl 4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate has a molecular weight of 557.55 g/mol, XLogP of 4.94, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [3-fluoro-2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl 4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate is sourced from PubChem (CID 175350628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).