5-[6-[4-[(5-fluoro-6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carbonitrile

C28H29FN6O4 — CID 162769745

About 5-[6-[4-[(5-fluoro-6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carbonitrile

5-[6-[4-[(5-fluoro-6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carbonitrile (PubChem CID 162769745) has the molecular formula C28H29FN6O4 and a molecular weight of 532.58 g/mol. Its IUPAC name is 5-[6-[4-[(5-fluoro-6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 5-[6-[4-[(5-fluoro-6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carbonitrile
• PubChem CID: 162769745
• Molecular Formula: C28H29FN6O4
• Molecular Weight: 532.58 g/mol
• Exact Mass: 532.22
• IUPAC Name: 5-[6-[4-[(5-fluoro-6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carbonitrile
• SMILES: COc1ncc(OC2CCN(c3ccc(-c4cc(OCC(C)(C)O)cc5ncc(C#N)n45)cn3)CC2)cc1F
• InChI: InChI=1S/C28H29FN6O4/c1-28(2,36)17-38-21-11-24(35-19(13-30)15-32-26(35)12-21)18-4-5-25(31-14-18)34-8-6-20(7-9-34)39-22-10-23(29)27(37-3)33-16-22/h4-5,10-12,14-16,20,36H,6-9,17H2,1-3H3
• InChIKey: BDFMQGRYRUFRTH-UHFFFAOYSA-N
• XLogP: 4.01
• TPSA: 118.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	532.58
LogP ≤ 5	4.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 5-[6-[4-[(5-fluoro-6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carbonitrile?

The IUPAC name of 5-[6-[4-[(5-fluoro-6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carbonitrile (CID 162769745) is 5-[6-[4-[(5-fluoro-6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carbonitrile.

What is the SMILES notation for 5-[6-[4-[(5-fluoro-6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carbonitrile?

The canonical SMILES for 5-[6-[4-[(5-fluoro-6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carbonitrile is COc1ncc(OC2CCN(c3ccc(-c4cc(OCC(C)(C)O)cc5ncc(C#N)n45)cn3)CC2)cc1F.

What is the InChIKey of 5-[6-[4-[(5-fluoro-6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carbonitrile?

The InChIKey is BDFMQGRYRUFRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29FN6O4/c1-28(2,36)17-38-21-11-24(35-19(13-30)15-32-26(35)12-21)18-4-5-25(31-14-18)34-8-6-20(7-9-34)39-22-10-23(29)27(37-3)33-16-22/h4-5,10-12,14-16,20,36H,6-9,17H2,1-3H3.

What are the key properties of 5-[6-[4-[(5-fluoro-6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carbonitrile?

5-[6-[4-[(5-fluoro-6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carbonitrile has a molecular weight of 532.58 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[6-[4-[(5-fluoro-6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carbonitrile is sourced from PubChem (CID 162769745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).