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

C32H30FN7O2 — CID 71283325

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

N-[2-fluoro-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylcarbamoyl]phenyl]-7-pyridin-3-ylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 71283325) has the molecular formula C32H30FN7O2 and a molecular weight of 563.64 g/mol. Its IUPAC name is N-[2-fluoro-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylcarbamoyl]phenyl]-7-pyridin-3-ylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-fluoro-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylcarbamoyl]phenyl]-7-pyridin-3-ylimidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 71283325
• Molecular Formula: C32H30FN7O2
• Molecular Weight: 563.64 g/mol
• Exact Mass: 563.24
• IUPAC Name: N-[2-fluoro-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylcarbamoyl]phenyl]-7-pyridin-3-ylimidazo[1,2-a]pyridine-3-carboxamide
• SMILES: CN1CCN(c2ccccc2CNC(=O)c2ccc(F)c(NC(=O)c3cnc4cc(-c5cccnc5)ccn34)c2)CC1
• InChI: InChI=1S/C32H30FN7O2/c1-38-13-15-39(16-14-38)28-7-3-2-5-25(28)20-36-31(41)23-8-9-26(33)27(17-23)37-32(42)29-21-35-30-18-22(10-12-40(29)30)24-6-4-11-34-19-24/h2-12,17-19,21H,13-16,20H2,1H3,(H,36,41)(H,37,42)
• InChIKey: WRVHTKBRWDARTN-UHFFFAOYSA-N
• XLogP: 4.47
• TPSA: 94.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	563.64
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[2-fluoro-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylcarbamoyl]phenyl]-7-pyridin-3-ylimidazo[1,2-a]pyridine-3-carboxamide (CID 71283325) is N-[2-fluoro-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylcarbamoyl]phenyl]-7-pyridin-3-ylimidazo[1,2-a]pyridine-3-carboxamide.

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

The canonical SMILES for N-[2-fluoro-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylcarbamoyl]phenyl]-7-pyridin-3-ylimidazo[1,2-a]pyridine-3-carboxamide is CN1CCN(c2ccccc2CNC(=O)c2ccc(F)c(NC(=O)c3cnc4cc(-c5cccnc5)ccn34)c2)CC1.

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

The InChIKey is WRVHTKBRWDARTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30FN7O2/c1-38-13-15-39(16-14-38)28-7-3-2-5-25(28)20-36-31(41)23-8-9-26(33)27(17-23)37-32(42)29-21-35-30-18-22(10-12-40(29)30)24-6-4-11-34-19-24/h2-12,17-19,21H,13-16,20H2,1H3,(H,36,41)(H,37,42).

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

N-[2-fluoro-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylcarbamoyl]phenyl]-7-pyridin-3-ylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 563.64 g/mol, XLogP of 4.47, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-fluoro-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylcarbamoyl]phenyl]-7-pyridin-3-ylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 71283325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).