3-(3-fluorophenyl)-4-[3-[6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]morpholine

C31H33FN8O2 — CID 58335545

About 3-(3-fluorophenyl)-4-[3-[6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]morpholine

3-(3-fluorophenyl)-4-[3-[6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]morpholine (PubChem CID 58335545) has the molecular formula C31H33FN8O2 and a molecular weight of 568.66 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-4-[3-[6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]morpholine.

Molecular Properties

• Compound Name: 3-(3-fluorophenyl)-4-[3-[6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]morpholine
• PubChem CID: 58335545
• Molecular Formula: C31H33FN8O2
• Molecular Weight: 568.66 g/mol
• Exact Mass: 568.27
• IUPAC Name: 3-(3-fluorophenyl)-4-[3-[6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]morpholine
• SMILES: CC(C)c1noc(C2CCN(c3cccc(-c4cnc5ccc(N6CCOCC6c6cccc(F)c6)nn45)n3)CC2)n1
• InChI: InChI=1S/C31H33FN8O2/c1-20(2)30-35-31(42-37-30)21-11-13-38(14-12-21)28-8-4-7-24(34-28)25-18-33-27-9-10-29(36-40(25)27)39-15-16-41-19-26(39)22-5-3-6-23(32)17-22/h3-10,17-18,20-21,26H,11-16,19H2,1-2H3
• InChIKey: RJYCQLQWRLIWKM-UHFFFAOYSA-N
• XLogP: 5.40
• TPSA: 97.71 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	568.66
LogP ≤ 5	5.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-4-[3-[6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]morpholine?

The IUPAC name of 3-(3-fluorophenyl)-4-[3-[6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]morpholine (CID 58335545) is 3-(3-fluorophenyl)-4-[3-[6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]morpholine.

What is the SMILES notation for 3-(3-fluorophenyl)-4-[3-[6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]morpholine?

The canonical SMILES for 3-(3-fluorophenyl)-4-[3-[6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]morpholine is CC(C)c1noc(C2CCN(c3cccc(-c4cnc5ccc(N6CCOCC6c6cccc(F)c6)nn45)n3)CC2)n1.

What is the InChIKey of 3-(3-fluorophenyl)-4-[3-[6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]morpholine?

The InChIKey is RJYCQLQWRLIWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33FN8O2/c1-20(2)30-35-31(42-37-30)21-11-13-38(14-12-21)28-8-4-7-24(34-28)25-18-33-27-9-10-29(36-40(25)27)39-15-16-41-19-26(39)22-5-3-6-23(32)17-22/h3-10,17-18,20-21,26H,11-16,19H2,1-2H3.

What are the key properties of 3-(3-fluorophenyl)-4-[3-[6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]morpholine?

3-(3-fluorophenyl)-4-[3-[6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]morpholine has a molecular weight of 568.66 g/mol, XLogP of 5.40, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-fluorophenyl)-4-[3-[6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]morpholine is sourced from PubChem (CID 58335545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).