8-[(3R,4R)-3-fluoropiperidin-4-yl]oxy-2-[7-(oxan-4-yloxy)imidazo[1,2-a]pyridin-3-yl]quinoline;dihydrochloride

C26H29Cl2FN4O3 — CID 66782217

About 8-[(3R,4R)-3-fluoropiperidin-4-yl]oxy-2-[7-(oxan-4-yloxy)imidazo[1,2-a]pyridin-3-yl]quinoline;dihydrochloride

8-[(3R,4R)-3-fluoropiperidin-4-yl]oxy-2-[7-(oxan-4-yloxy)imidazo[1,2-a]pyridin-3-yl]quinoline;dihydrochloride (PubChem CID 66782217) has the molecular formula C26H29Cl2FN4O3 and a molecular weight of 535.45 g/mol. Its IUPAC name is 8-[(3R,4R)-3-fluoropiperidin-4-yl]oxy-2-[7-(oxan-4-yloxy)imidazo[1,2-a]pyridin-3-yl]quinoline;dihydrochloride.

Molecular Properties

• Compound Name: 8-[(3R,4R)-3-fluoropiperidin-4-yl]oxy-2-[7-(oxan-4-yloxy)imidazo[1,2-a]pyridin-3-yl]quinoline;dihydrochloride
• PubChem CID: 66782217
• Molecular Formula: C26H29Cl2FN4O3
• Molecular Weight: 535.45 g/mol
• Exact Mass: 534.16
• IUPAC Name: 8-[(3R,4R)-3-fluoropiperidin-4-yl]oxy-2-[7-(oxan-4-yloxy)imidazo[1,2-a]pyridin-3-yl]quinoline;dihydrochloride
• SMILES: Cl.Cl.F[C@@H]1CNCC[C@H]1Oc1cccc2ccc(-c3cnc4cc(OC5CCOCC5)ccn34)nc12
• InChI: InChI=1S/C26H27FN4O3.2ClH/c27-20-15-28-10-6-23(20)34-24-3-1-2-17-4-5-21(30-26(17)24)22-16-29-25-14-19(7-11-31(22)25)33-18-8-12-32-13-9-18;;/h1-5,7,11,14,16,18,20,23,28H,6,8-10,12-13,15H2;2*1H/t20-,23-;;/m1../s1
• InChIKey: VPHOAWZZLUDXFA-LRHYEEQISA-N
• XLogP: 5.03
• TPSA: 69.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	535.45
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 8-[(3R,4R)-3-fluoropiperidin-4-yl]oxy-2-[7-(oxan-4-yloxy)imidazo[1,2-a]pyridin-3-yl]quinoline;dihydrochloride?

The IUPAC name of 8-[(3R,4R)-3-fluoropiperidin-4-yl]oxy-2-[7-(oxan-4-yloxy)imidazo[1,2-a]pyridin-3-yl]quinoline;dihydrochloride (CID 66782217) is 8-[(3R,4R)-3-fluoropiperidin-4-yl]oxy-2-[7-(oxan-4-yloxy)imidazo[1,2-a]pyridin-3-yl]quinoline;dihydrochloride.

What is the SMILES notation for 8-[(3R,4R)-3-fluoropiperidin-4-yl]oxy-2-[7-(oxan-4-yloxy)imidazo[1,2-a]pyridin-3-yl]quinoline;dihydrochloride?

The canonical SMILES for 8-[(3R,4R)-3-fluoropiperidin-4-yl]oxy-2-[7-(oxan-4-yloxy)imidazo[1,2-a]pyridin-3-yl]quinoline;dihydrochloride is Cl.Cl.F[C@@H]1CNCC[C@H]1Oc1cccc2ccc(-c3cnc4cc(OC5CCOCC5)ccn34)nc12.

What is the InChIKey of 8-[(3R,4R)-3-fluoropiperidin-4-yl]oxy-2-[7-(oxan-4-yloxy)imidazo[1,2-a]pyridin-3-yl]quinoline;dihydrochloride?

The InChIKey is VPHOAWZZLUDXFA-LRHYEEQISA-N. The full InChI is InChI=1S/C26H27FN4O3.2ClH/c27-20-15-28-10-6-23(20)34-24-3-1-2-17-4-5-21(30-26(17)24)22-16-29-25-14-19(7-11-31(22)25)33-18-8-12-32-13-9-18;;/h1-5,7,11,14,16,18,20,23,28H,6,8-10,12-13,15H2;2*1H/t20-,23-;;/m1../s1.

What are the key properties of 8-[(3R,4R)-3-fluoropiperidin-4-yl]oxy-2-[7-(oxan-4-yloxy)imidazo[1,2-a]pyridin-3-yl]quinoline;dihydrochloride?

8-[(3R,4R)-3-fluoropiperidin-4-yl]oxy-2-[7-(oxan-4-yloxy)imidazo[1,2-a]pyridin-3-yl]quinoline;dihydrochloride has a molecular weight of 535.45 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[(3R,4R)-3-fluoropiperidin-4-yl]oxy-2-[7-(oxan-4-yloxy)imidazo[1,2-a]pyridin-3-yl]quinoline;dihydrochloride is sourced from PubChem (CID 66782217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).