N-[2,4-dichloro-3-[(2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]-2-(1,3-dioxoisoindol-2-yl)propanamide

C26H20Cl2N4O4 — CID 67656946

About N-[2,4-dichloro-3-[(2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]-2-(1,3-dioxoisoindol-2-yl)propanamide

N-[2,4-dichloro-3-[(2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]-2-(1,3-dioxoisoindol-2-yl)propanamide (PubChem CID 67656946) has the molecular formula C26H20Cl2N4O4 and a molecular weight of 523.38 g/mol. Its IUPAC name is N-[2,4-dichloro-3-[(2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]-2-(1,3-dioxoisoindol-2-yl)propanamide.

Molecular Properties

• Compound Name: N-[2,4-dichloro-3-[(2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]-2-(1,3-dioxoisoindol-2-yl)propanamide
• PubChem CID: 67656946
• Molecular Formula: C26H20Cl2N4O4
• Molecular Weight: 523.38 g/mol
• Exact Mass: 522.09
• IUPAC Name: N-[2,4-dichloro-3-[(2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]-2-(1,3-dioxoisoindol-2-yl)propanamide
• SMILES: Cc1cn2cccc(OCc3c(Cl)ccc(NC(=O)C(C)N4C(=O)c5ccccc5C4=O)c3Cl)c2n1
• InChI: InChI=1S/C26H20Cl2N4O4/c1-14-12-31-11-5-8-21(23(31)29-14)36-13-18-19(27)9-10-20(22(18)28)30-24(33)15(2)32-25(34)16-6-3-4-7-17(16)26(32)35/h3-12,15H,13H2,1-2H3,(H,30,33)
• InChIKey: IDQXNGCESFTFJB-UHFFFAOYSA-N
• XLogP: 5.15
• TPSA: 93.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	523.38
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2,4-dichloro-3-[(2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]-2-(1,3-dioxoisoindol-2-yl)propanamide?

The IUPAC name of N-[2,4-dichloro-3-[(2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]-2-(1,3-dioxoisoindol-2-yl)propanamide (CID 67656946) is N-[2,4-dichloro-3-[(2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]-2-(1,3-dioxoisoindol-2-yl)propanamide.

What is the SMILES notation for N-[2,4-dichloro-3-[(2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]-2-(1,3-dioxoisoindol-2-yl)propanamide?

The canonical SMILES for N-[2,4-dichloro-3-[(2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]-2-(1,3-dioxoisoindol-2-yl)propanamide is Cc1cn2cccc(OCc3c(Cl)ccc(NC(=O)C(C)N4C(=O)c5ccccc5C4=O)c3Cl)c2n1.

What is the InChIKey of N-[2,4-dichloro-3-[(2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]-2-(1,3-dioxoisoindol-2-yl)propanamide?

The InChIKey is IDQXNGCESFTFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20Cl2N4O4/c1-14-12-31-11-5-8-21(23(31)29-14)36-13-18-19(27)9-10-20(22(18)28)30-24(33)15(2)32-25(34)16-6-3-4-7-17(16)26(32)35/h3-12,15H,13H2,1-2H3,(H,30,33).

What are the key properties of N-[2,4-dichloro-3-[(2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]-2-(1,3-dioxoisoindol-2-yl)propanamide?

N-[2,4-dichloro-3-[(2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]-2-(1,3-dioxoisoindol-2-yl)propanamide has a molecular weight of 523.38 g/mol, XLogP of 5.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2,4-dichloro-3-[(2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]-2-(1,3-dioxoisoindol-2-yl)propanamide is sourced from PubChem (CID 67656946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).