6-bromo-N-[(Z)-[4-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

C24H19BrClN5O3 — CID 124539662

About 6-bromo-N-[(Z)-[4-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

6-bromo-N-[(Z)-[4-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 124539662) has the molecular formula C24H19BrClN5O3 and a molecular weight of 540.81 g/mol. Its IUPAC name is 6-bromo-N-[(Z)-[4-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-bromo-N-[(Z)-[4-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 124539662
• Molecular Formula: C24H19BrClN5O3
• Molecular Weight: 540.81 g/mol
• Exact Mass: 539.04
• IUPAC Name: 6-bromo-N-[(Z)-[4-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
• SMILES: Cc1nc2ccc(Br)cn2c1C(=O)N/N=C\c1ccc(OCC(=O)Nc2ccccc2Cl)cc1
• InChI: InChI=1S/C24H19BrClN5O3/c1-15-23(31-13-17(25)8-11-21(31)28-15)24(33)30-27-12-16-6-9-18(10-7-16)34-14-22(32)29-20-5-3-2-4-19(20)26/h2-13H,14H2,1H3,(H,29,32)(H,30,33)/b27-12-
• InChIKey: GMKUATJZQZFTER-PPDIBHTLSA-N
• XLogP: 4.84
• TPSA: 97.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	540.81
LogP ≤ 5	4.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(Z)-[4-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of 6-bromo-N-[(Z)-[4-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (CID 124539662) is 6-bromo-N-[(Z)-[4-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.

What is the SMILES notation for 6-bromo-N-[(Z)-[4-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?

The canonical SMILES for 6-bromo-N-[(Z)-[4-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is Cc1nc2ccc(Br)cn2c1C(=O)N/N=C\c1ccc(OCC(=O)Nc2ccccc2Cl)cc1.

What is the InChIKey of 6-bromo-N-[(Z)-[4-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is GMKUATJZQZFTER-PPDIBHTLSA-N. The full InChI is InChI=1S/C24H19BrClN5O3/c1-15-23(31-13-17(25)8-11-21(31)28-15)24(33)30-27-12-16-6-9-18(10-7-16)34-14-22(32)29-20-5-3-2-4-19(20)26/h2-13H,14H2,1H3,(H,29,32)(H,30,33)/b27-12-.

What are the key properties of 6-bromo-N-[(Z)-[4-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?

6-bromo-N-[(Z)-[4-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 540.81 g/mol, XLogP of 4.84, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-N-[(Z)-[4-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 124539662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).