2-(4-chloro-3-fluorophenoxy)-N-[(3S,6R)-6-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]piperidin-3-yl]acetamide

C21H19ClF4N4O2 — CID 169220644

About 2-(4-chloro-3-fluorophenoxy)-N-[(3S,6R)-6-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]piperidin-3-yl]acetamide

2-(4-chloro-3-fluorophenoxy)-N-[(3S,6R)-6-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]piperidin-3-yl]acetamide (PubChem CID 169220644) has the molecular formula C21H19ClF4N4O2 and a molecular weight of 470.85 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenoxy)-N-[(3S,6R)-6-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]piperidin-3-yl]acetamide.

Molecular Properties

• Compound Name: 2-(4-chloro-3-fluorophenoxy)-N-[(3S,6R)-6-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]piperidin-3-yl]acetamide
• PubChem CID: 169220644
• Molecular Formula: C21H19ClF4N4O2
• Molecular Weight: 470.85 g/mol
• Exact Mass: 470.11
• IUPAC Name: 2-(4-chloro-3-fluorophenoxy)-N-[(3S,6R)-6-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]piperidin-3-yl]acetamide
• SMILES: O=C(COc1ccc(Cl)c(F)c1)N[C@H]1CC[C@H](c2cn3ccc(C(F)(F)F)cc3n2)NC1
• InChI: InChI=1S/C21H19ClF4N4O2/c22-15-3-2-14(8-16(15)23)32-11-20(31)28-13-1-4-17(27-9-13)18-10-30-6-5-12(21(24,25)26)7-19(30)29-18/h2-3,5-8,10,13,17,27H,1,4,9,11H2,(H,28,31)/t13-,17+/m0/s1
• InChIKey: ZZEIWJQHICFUCE-SUMWQHHRSA-N
• XLogP: 4.13
• TPSA: 67.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.85
LogP ≤ 5	4.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[(3S,6R)-6-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]piperidin-3-yl]acetamide?

The IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[(3S,6R)-6-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]piperidin-3-yl]acetamide (CID 169220644) is 2-(4-chloro-3-fluorophenoxy)-N-[(3S,6R)-6-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]piperidin-3-yl]acetamide.

What is the SMILES notation for 2-(4-chloro-3-fluorophenoxy)-N-[(3S,6R)-6-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]piperidin-3-yl]acetamide?

The canonical SMILES for 2-(4-chloro-3-fluorophenoxy)-N-[(3S,6R)-6-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]piperidin-3-yl]acetamide is O=C(COc1ccc(Cl)c(F)c1)N[C@H]1CC[C@H](c2cn3ccc(C(F)(F)F)cc3n2)NC1.

What is the InChIKey of 2-(4-chloro-3-fluorophenoxy)-N-[(3S,6R)-6-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]piperidin-3-yl]acetamide?

The InChIKey is ZZEIWJQHICFUCE-SUMWQHHRSA-N. The full InChI is InChI=1S/C21H19ClF4N4O2/c22-15-3-2-14(8-16(15)23)32-11-20(31)28-13-1-4-17(27-9-13)18-10-30-6-5-12(21(24,25)26)7-19(30)29-18/h2-3,5-8,10,13,17,27H,1,4,9,11H2,(H,28,31)/t13-,17+/m0/s1.

What are the key properties of 2-(4-chloro-3-fluorophenoxy)-N-[(3S,6R)-6-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]piperidin-3-yl]acetamide?

2-(4-chloro-3-fluorophenoxy)-N-[(3S,6R)-6-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]piperidin-3-yl]acetamide has a molecular weight of 470.85 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chloro-3-fluorophenoxy)-N-[(3S,6R)-6-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]piperidin-3-yl]acetamide is sourced from PubChem (CID 169220644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).