7-bromo-N-[2-fluoro-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylcarbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide

C27H26BrFN6O2 — CID 71283095

About 7-bromo-N-[2-fluoro-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylcarbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide

7-bromo-N-[2-fluoro-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylcarbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 71283095) has the molecular formula C27H26BrFN6O2 and a molecular weight of 565.45 g/mol. Its IUPAC name is 7-bromo-N-[2-fluoro-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylcarbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 7-bromo-N-[2-fluoro-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylcarbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 71283095
• Molecular Formula: C27H26BrFN6O2
• Molecular Weight: 565.45 g/mol
• Exact Mass: 564.13
• IUPAC Name: 7-bromo-N-[2-fluoro-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylcarbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
• SMILES: CN1CCN(c2ccccc2CNC(=O)c2ccc(F)c(NC(=O)c3cnc4cc(Br)ccn34)c2)CC1
• InChI: InChI=1S/C27H26BrFN6O2/c1-33-10-12-34(13-11-33)23-5-3-2-4-19(23)16-31-26(36)18-6-7-21(29)22(14-18)32-27(37)24-17-30-25-15-20(28)8-9-35(24)25/h2-9,14-15,17H,10-13,16H2,1H3,(H,31,36)(H,32,37)
• InChIKey: DAGUENXNKOLCMB-UHFFFAOYSA-N
• XLogP: 4.17
• TPSA: 81.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	565.45
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-[2-fluoro-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylcarbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of 7-bromo-N-[2-fluoro-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylcarbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 71283095) is 7-bromo-N-[2-fluoro-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylcarbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide.

What is the SMILES notation for 7-bromo-N-[2-fluoro-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylcarbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide?

The canonical SMILES for 7-bromo-N-[2-fluoro-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylcarbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide is CN1CCN(c2ccccc2CNC(=O)c2ccc(F)c(NC(=O)c3cnc4cc(Br)ccn34)c2)CC1.

What is the InChIKey of 7-bromo-N-[2-fluoro-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylcarbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is DAGUENXNKOLCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26BrFN6O2/c1-33-10-12-34(13-11-33)23-5-3-2-4-19(23)16-31-26(36)18-6-7-21(29)22(14-18)32-27(37)24-17-30-25-15-20(28)8-9-35(24)25/h2-9,14-15,17H,10-13,16H2,1H3,(H,31,36)(H,32,37).

What are the key properties of 7-bromo-N-[2-fluoro-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylcarbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide?

7-bromo-N-[2-fluoro-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylcarbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 565.45 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-bromo-N-[2-fluoro-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylcarbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 71283095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).