6-fluoro-2-methyl-4-[7-[4-[1-(2-methylpropyl)piperidin-4-yl]phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline

C32H33FN4 — CID 139326717

About 6-fluoro-2-methyl-4-[7-[4-[1-(2-methylpropyl)piperidin-4-yl]phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline

6-fluoro-2-methyl-4-[7-[4-[1-(2-methylpropyl)piperidin-4-yl]phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline (PubChem CID 139326717) has the molecular formula C32H33FN4 and a molecular weight of 492.64 g/mol. Its IUPAC name is 6-fluoro-2-methyl-4-[7-[4-[1-(2-methylpropyl)piperidin-4-yl]phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline.

Molecular Properties

• Compound Name: 6-fluoro-2-methyl-4-[7-[4-[1-(2-methylpropyl)piperidin-4-yl]phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline
• PubChem CID: 139326717
• Molecular Formula: C32H33FN4
• Molecular Weight: 492.64 g/mol
• Exact Mass: 492.27
• IUPAC Name: 6-fluoro-2-methyl-4-[7-[4-[1-(2-methylpropyl)piperidin-4-yl]phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline
• SMILES: Cc1cc(-c2cnc3cc(-c4ccc(C5CCN(CC(C)C)CC5)cc4)ccn23)c2cc(F)ccc2n1
• InChI: InChI=1S/C32H33FN4/c1-21(2)20-36-13-10-25(11-14-36)23-4-6-24(7-5-23)26-12-15-37-31(19-34-32(37)17-26)29-16-22(3)35-30-9-8-27(33)18-28(29)30/h4-9,12,15-19,21,25H,10-11,13-14,20H2,1-3H3
• InChIKey: IRUUHFQCHCDHHL-UHFFFAOYSA-N
• XLogP: 7.50
• TPSA: 33.43 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	492.64
LogP ≤ 5	7.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methyl-4-[7-[4-[1-(2-methylpropyl)piperidin-4-yl]phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline?

The IUPAC name of 6-fluoro-2-methyl-4-[7-[4-[1-(2-methylpropyl)piperidin-4-yl]phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline (CID 139326717) is 6-fluoro-2-methyl-4-[7-[4-[1-(2-methylpropyl)piperidin-4-yl]phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline.

What is the SMILES notation for 6-fluoro-2-methyl-4-[7-[4-[1-(2-methylpropyl)piperidin-4-yl]phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline?

The canonical SMILES for 6-fluoro-2-methyl-4-[7-[4-[1-(2-methylpropyl)piperidin-4-yl]phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline is Cc1cc(-c2cnc3cc(-c4ccc(C5CCN(CC(C)C)CC5)cc4)ccn23)c2cc(F)ccc2n1.

What is the InChIKey of 6-fluoro-2-methyl-4-[7-[4-[1-(2-methylpropyl)piperidin-4-yl]phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline?

The InChIKey is IRUUHFQCHCDHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33FN4/c1-21(2)20-36-13-10-25(11-14-36)23-4-6-24(7-5-23)26-12-15-37-31(19-34-32(37)17-26)29-16-22(3)35-30-9-8-27(33)18-28(29)30/h4-9,12,15-19,21,25H,10-11,13-14,20H2,1-3H3.

What are the key properties of 6-fluoro-2-methyl-4-[7-[4-[1-(2-methylpropyl)piperidin-4-yl]phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline?

6-fluoro-2-methyl-4-[7-[4-[1-(2-methylpropyl)piperidin-4-yl]phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline has a molecular weight of 492.64 g/mol, XLogP of 7.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-fluoro-2-methyl-4-[7-[4-[1-(2-methylpropyl)piperidin-4-yl]phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline is sourced from PubChem (CID 139326717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).