6-[2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid

C22H22FN3O4 — CID 118590619

About 6-[2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid

6-[2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 118590619) has the molecular formula C22H22FN3O4 and a molecular weight of 411.43 g/mol. Its IUPAC name is 6-[2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 6-[2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid
• PubChem CID: 118590619
• Molecular Formula: C22H22FN3O4
• Molecular Weight: 411.43 g/mol
• Exact Mass: 411.16
• IUPAC Name: 6-[2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid
• SMILES: O=C(O)c1cnc2ccc(N3CCCC3c3cc(F)ccc3O[C@@H]3CCOC3)cn12
• InChI: InChI=1S/C22H22FN3O4/c23-14-3-5-20(30-16-7-9-29-13-16)17(10-14)18-2-1-8-25(18)15-4-6-21-24-11-19(22(27)28)26(21)12-15/h3-6,10-12,16,18H,1-2,7-9,13H2,(H,27,28)/t16-,18?/m1/s1
• InChIKey: LUYSBNDSPTWTKR-PYUWXLGESA-N
• XLogP: 3.68
• TPSA: 76.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.43
LogP ≤ 5	3.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid?

The IUPAC name of 6-[2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid (CID 118590619) is 6-[2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid.

What is the SMILES notation for 6-[2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid?

The canonical SMILES for 6-[2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid is O=C(O)c1cnc2ccc(N3CCCC3c3cc(F)ccc3O[C@@H]3CCOC3)cn12.

What is the InChIKey of 6-[2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid?

The InChIKey is LUYSBNDSPTWTKR-PYUWXLGESA-N. The full InChI is InChI=1S/C22H22FN3O4/c23-14-3-5-20(30-16-7-9-29-13-16)17(10-14)18-2-1-8-25(18)15-4-6-21-24-11-19(22(27)28)26(21)12-15/h3-6,10-12,16,18H,1-2,7-9,13H2,(H,27,28)/t16-,18?/m1/s1.

What are the key properties of 6-[2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid?

6-[2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 411.43 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 118590619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).