8-[(3S)-3-fluoropiperidin-4-yl]oxy-2-[7-[(3R)-oxolan-3-yl]oxyimidazo[1,2-a]pyridin-3-yl]quinoline

C25H25FN4O3 — CID 59176345

About 8-[(3S)-3-fluoropiperidin-4-yl]oxy-2-[7-[(3R)-oxolan-3-yl]oxyimidazo[1,2-a]pyridin-3-yl]quinoline

8-[(3S)-3-fluoropiperidin-4-yl]oxy-2-[7-[(3R)-oxolan-3-yl]oxyimidazo[1,2-a]pyridin-3-yl]quinoline (PubChem CID 59176345) has the molecular formula C25H25FN4O3 and a molecular weight of 448.50 g/mol. Its IUPAC name is 8-[(3S)-3-fluoropiperidin-4-yl]oxy-2-[7-[(3R)-oxolan-3-yl]oxyimidazo[1,2-a]pyridin-3-yl]quinoline.

Molecular Properties

• Compound Name: 8-[(3S)-3-fluoropiperidin-4-yl]oxy-2-[7-[(3R)-oxolan-3-yl]oxyimidazo[1,2-a]pyridin-3-yl]quinoline
• PubChem CID: 59176345
• Molecular Formula: C25H25FN4O3
• Molecular Weight: 448.50 g/mol
• Exact Mass: 448.19
• IUPAC Name: 8-[(3S)-3-fluoropiperidin-4-yl]oxy-2-[7-[(3R)-oxolan-3-yl]oxyimidazo[1,2-a]pyridin-3-yl]quinoline
• SMILES: F[C@H]1CNCCC1Oc1cccc2ccc(-c3cnc4cc(O[C@@H]5CCOC5)ccn34)nc12
• InChI: InChI=1S/C25H25FN4O3/c26-19-13-27-9-6-22(19)33-23-3-1-2-16-4-5-20(29-25(16)23)21-14-28-24-12-17(7-10-30(21)24)32-18-8-11-31-15-18/h1-5,7,10,12,14,18-19,22,27H,6,8-9,11,13,15H2/t18-,19+,22?/m1/s1
• InChIKey: FREBNXPQQZJEKM-DKPCLATOSA-N
• XLogP: 3.80
• TPSA: 69.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.50
LogP ≤ 5	3.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 8-[(3S)-3-fluoropiperidin-4-yl]oxy-2-[7-[(3R)-oxolan-3-yl]oxyimidazo[1,2-a]pyridin-3-yl]quinoline?

The IUPAC name of 8-[(3S)-3-fluoropiperidin-4-yl]oxy-2-[7-[(3R)-oxolan-3-yl]oxyimidazo[1,2-a]pyridin-3-yl]quinoline (CID 59176345) is 8-[(3S)-3-fluoropiperidin-4-yl]oxy-2-[7-[(3R)-oxolan-3-yl]oxyimidazo[1,2-a]pyridin-3-yl]quinoline.

What is the SMILES notation for 8-[(3S)-3-fluoropiperidin-4-yl]oxy-2-[7-[(3R)-oxolan-3-yl]oxyimidazo[1,2-a]pyridin-3-yl]quinoline?

The canonical SMILES for 8-[(3S)-3-fluoropiperidin-4-yl]oxy-2-[7-[(3R)-oxolan-3-yl]oxyimidazo[1,2-a]pyridin-3-yl]quinoline is F[C@H]1CNCCC1Oc1cccc2ccc(-c3cnc4cc(O[C@@H]5CCOC5)ccn34)nc12.

What is the InChIKey of 8-[(3S)-3-fluoropiperidin-4-yl]oxy-2-[7-[(3R)-oxolan-3-yl]oxyimidazo[1,2-a]pyridin-3-yl]quinoline?

The InChIKey is FREBNXPQQZJEKM-DKPCLATOSA-N. The full InChI is InChI=1S/C25H25FN4O3/c26-19-13-27-9-6-22(19)33-23-3-1-2-16-4-5-20(29-25(16)23)21-14-28-24-12-17(7-10-30(21)24)32-18-8-11-31-15-18/h1-5,7,10,12,14,18-19,22,27H,6,8-9,11,13,15H2/t18-,19+,22?/m1/s1.

What are the key properties of 8-[(3S)-3-fluoropiperidin-4-yl]oxy-2-[7-[(3R)-oxolan-3-yl]oxyimidazo[1,2-a]pyridin-3-yl]quinoline?

8-[(3S)-3-fluoropiperidin-4-yl]oxy-2-[7-[(3R)-oxolan-3-yl]oxyimidazo[1,2-a]pyridin-3-yl]quinoline has a molecular weight of 448.50 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[(3S)-3-fluoropiperidin-4-yl]oxy-2-[7-[(3R)-oxolan-3-yl]oxyimidazo[1,2-a]pyridin-3-yl]quinoline is sourced from PubChem (CID 59176345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).