4-[7-[4-(3,3-dimethylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-8-fluoro-2,6-dimethylquinoline

C30H30FN5 — CID 161401798

About 4-[7-[4-(3,3-dimethylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-8-fluoro-2,6-dimethylquinoline

4-[7-[4-(3,3-dimethylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-8-fluoro-2,6-dimethylquinoline (PubChem CID 161401798) has the molecular formula C30H30FN5 and a molecular weight of 479.60 g/mol. Its IUPAC name is 4-[7-[4-(3,3-dimethylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-8-fluoro-2,6-dimethylquinoline.

Molecular Properties

• Compound Name: 4-[7-[4-(3,3-dimethylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-8-fluoro-2,6-dimethylquinoline
• PubChem CID: 161401798
• Molecular Formula: C30H30FN5
• Molecular Weight: 479.60 g/mol
• Exact Mass: 479.25
• IUPAC Name: 4-[7-[4-(3,3-dimethylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-8-fluoro-2,6-dimethylquinoline
• SMILES: Cc1cc(F)c2nc(C)cc(-c3cnc4cc(-c5ccc(N6CCNC(C)(C)C6)cc5)ccn34)c2c1
• InChI: InChI=1S/C30H30FN5/c1-19-13-25-24(15-20(2)34-29(25)26(31)14-19)27-17-32-28-16-22(9-11-36(27)28)21-5-7-23(8-6-21)35-12-10-33-30(3,4)18-35/h5-9,11,13-17,33H,10,12,18H2,1-4H3
• InChIKey: JHHVLMGDSQPNKN-UHFFFAOYSA-N
• XLogP: 6.16
• TPSA: 45.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	479.60
LogP ≤ 5	6.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[7-[4-(3,3-dimethylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-8-fluoro-2,6-dimethylquinoline?

The IUPAC name of 4-[7-[4-(3,3-dimethylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-8-fluoro-2,6-dimethylquinoline (CID 161401798) is 4-[7-[4-(3,3-dimethylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-8-fluoro-2,6-dimethylquinoline.

What is the SMILES notation for 4-[7-[4-(3,3-dimethylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-8-fluoro-2,6-dimethylquinoline?

The canonical SMILES for 4-[7-[4-(3,3-dimethylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-8-fluoro-2,6-dimethylquinoline is Cc1cc(F)c2nc(C)cc(-c3cnc4cc(-c5ccc(N6CCNC(C)(C)C6)cc5)ccn34)c2c1.

What is the InChIKey of 4-[7-[4-(3,3-dimethylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-8-fluoro-2,6-dimethylquinoline?

The InChIKey is JHHVLMGDSQPNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30FN5/c1-19-13-25-24(15-20(2)34-29(25)26(31)14-19)27-17-32-28-16-22(9-11-36(27)28)21-5-7-23(8-6-21)35-12-10-33-30(3,4)18-35/h5-9,11,13-17,33H,10,12,18H2,1-4H3.

What are the key properties of 4-[7-[4-(3,3-dimethylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-8-fluoro-2,6-dimethylquinoline?

4-[7-[4-(3,3-dimethylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-8-fluoro-2,6-dimethylquinoline has a molecular weight of 479.60 g/mol, XLogP of 6.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[7-[4-(3,3-dimethylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-8-fluoro-2,6-dimethylquinoline is sourced from PubChem (CID 161401798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).