2-[3-[5-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-2-fluorophenoxy]pyrrolidin-1-yl]acetic acid

C22H15Cl2F4N5O4 — CID 59377175

About 2-[3-[5-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-2-fluorophenoxy]pyrrolidin-1-yl]acetic acid

2-[3-[5-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-2-fluorophenoxy]pyrrolidin-1-yl]acetic acid (PubChem CID 59377175) has the molecular formula C22H15Cl2F4N5O4 and a molecular weight of 560.29 g/mol. Its IUPAC name is 2-[3-[5-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-2-fluorophenoxy]pyrrolidin-1-yl]acetic acid.

Molecular Properties

• Compound Name: 2-[3-[5-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-2-fluorophenoxy]pyrrolidin-1-yl]acetic acid
• PubChem CID: 59377175
• Molecular Formula: C22H15Cl2F4N5O4
• Molecular Weight: 560.29 g/mol
• Exact Mass: 559.04
• IUPAC Name: 2-[3-[5-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-2-fluorophenoxy]pyrrolidin-1-yl]acetic acid
• SMILES: O=C(O)CN1CCC(Oc2cc(Cl)c(-c3noc(-c4cn5cc(C(F)(F)F)cc(Cl)c5n4)n3)cc2F)C1
• InChI: InChI=1S/C22H15Cl2F4N5O4/c23-13-5-17(36-11-1-2-32(7-11)9-18(34)35)15(25)4-12(13)19-30-21(37-31-19)16-8-33-6-10(22(26,27)28)3-14(24)20(33)29-16/h3-6,8,11H,1-2,7,9H2,(H,34,35)
• InChIKey: SBVUKOYSIKHYNU-UHFFFAOYSA-N
• XLogP: 5.05
• TPSA: 105.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	560.29
LogP ≤ 5	5.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-2-fluorophenoxy]pyrrolidin-1-yl]acetic acid?

The IUPAC name of 2-[3-[5-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-2-fluorophenoxy]pyrrolidin-1-yl]acetic acid (CID 59377175) is 2-[3-[5-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-2-fluorophenoxy]pyrrolidin-1-yl]acetic acid.

What is the SMILES notation for 2-[3-[5-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-2-fluorophenoxy]pyrrolidin-1-yl]acetic acid?

The canonical SMILES for 2-[3-[5-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-2-fluorophenoxy]pyrrolidin-1-yl]acetic acid is O=C(O)CN1CCC(Oc2cc(Cl)c(-c3noc(-c4cn5cc(C(F)(F)F)cc(Cl)c5n4)n3)cc2F)C1.

What is the InChIKey of 2-[3-[5-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-2-fluorophenoxy]pyrrolidin-1-yl]acetic acid?

The InChIKey is SBVUKOYSIKHYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl2F4N5O4/c23-13-5-17(36-11-1-2-32(7-11)9-18(34)35)15(25)4-12(13)19-30-21(37-31-19)16-8-33-6-10(22(26,27)28)3-14(24)20(33)29-16/h3-6,8,11H,1-2,7,9H2,(H,34,35).

What are the key properties of 2-[3-[5-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-2-fluorophenoxy]pyrrolidin-1-yl]acetic acid?

2-[3-[5-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-2-fluorophenoxy]pyrrolidin-1-yl]acetic acid has a molecular weight of 560.29 g/mol, XLogP of 5.05, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[5-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-2-fluorophenoxy]pyrrolidin-1-yl]acetic acid is sourced from PubChem (CID 59377175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).