4-(7-bromoimidazo[1,2-a]pyridin-3-yl)-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide;7-bromo-3-iodoimidazo[1,2-a]pyridine

C26H20Br2F2IN5O3 — CID 162180255

About 4-(7-bromoimidazo[1,2-a]pyridin-3-yl)-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide;7-bromo-3-iodoimidazo[1,2-a]pyridine

4-(7-bromoimidazo[1,2-a]pyridin-3-yl)-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide;7-bromo-3-iodoimidazo[1,2-a]pyridine (PubChem CID 162180255) has the molecular formula C26H20Br2F2IN5O3 and a molecular weight of 775.19 g/mol. Its IUPAC name is 4-(7-bromoimidazo[1,2-a]pyridin-3-yl)-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide;7-bromo-3-iodoimidazo[1,2-a]pyridine.

Molecular Properties

• Compound Name: 4-(7-bromoimidazo[1,2-a]pyridin-3-yl)-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide;7-bromo-3-iodoimidazo[1,2-a]pyridine
• PubChem CID: 162180255
• Molecular Formula: C26H20Br2F2IN5O3
• Molecular Weight: 775.19 g/mol
• Exact Mass: 772.89
• IUPAC Name: 4-(7-bromoimidazo[1,2-a]pyridin-3-yl)-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide;7-bromo-3-iodoimidazo[1,2-a]pyridine
• SMILES: Brc1ccn2c(I)cnc2c1.COc1cc(-c2cnc3cc(Br)ccn23)cc(OC(F)F)c1C(=O)NC1CC1
• InChI: InChI=1S/C19H16BrF2N3O3.C7H4BrIN2/c1-27-14-6-10(13-9-23-16-8-11(20)4-5-25(13)16)7-15(28-19(21)22)17(14)18(26)24-12-2-3-12;8-5-1-2-11-6(9)4-10-7(11)3-5/h4-9,12,19H,2-3H2,1H3,(H,24,26);1-4H
• InChIKey: ZOXPWXYSPGXFNC-UHFFFAOYSA-N
• XLogP: 6.97
• TPSA: 82.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	775.19
LogP ≤ 5	6.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(7-bromoimidazo[1,2-a]pyridin-3-yl)-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide;7-bromo-3-iodoimidazo[1,2-a]pyridine?

The IUPAC name of 4-(7-bromoimidazo[1,2-a]pyridin-3-yl)-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide;7-bromo-3-iodoimidazo[1,2-a]pyridine (CID 162180255) is 4-(7-bromoimidazo[1,2-a]pyridin-3-yl)-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide;7-bromo-3-iodoimidazo[1,2-a]pyridine.

What is the SMILES notation for 4-(7-bromoimidazo[1,2-a]pyridin-3-yl)-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide;7-bromo-3-iodoimidazo[1,2-a]pyridine?

The canonical SMILES for 4-(7-bromoimidazo[1,2-a]pyridin-3-yl)-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide;7-bromo-3-iodoimidazo[1,2-a]pyridine is Brc1ccn2c(I)cnc2c1.COc1cc(-c2cnc3cc(Br)ccn23)cc(OC(F)F)c1C(=O)NC1CC1.

What is the InChIKey of 4-(7-bromoimidazo[1,2-a]pyridin-3-yl)-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide;7-bromo-3-iodoimidazo[1,2-a]pyridine?

The InChIKey is ZOXPWXYSPGXFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrF2N3O3.C7H4BrIN2/c1-27-14-6-10(13-9-23-16-8-11(20)4-5-25(13)16)7-15(28-19(21)22)17(14)18(26)24-12-2-3-12;8-5-1-2-11-6(9)4-10-7(11)3-5/h4-9,12,19H,2-3H2,1H3,(H,24,26);1-4H.

What are the key properties of 4-(7-bromoimidazo[1,2-a]pyridin-3-yl)-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide;7-bromo-3-iodoimidazo[1,2-a]pyridine?

4-(7-bromoimidazo[1,2-a]pyridin-3-yl)-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide;7-bromo-3-iodoimidazo[1,2-a]pyridine has a molecular weight of 775.19 g/mol, XLogP of 6.97, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(7-bromoimidazo[1,2-a]pyridin-3-yl)-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide;7-bromo-3-iodoimidazo[1,2-a]pyridine is sourced from PubChem (CID 162180255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).