3-[2-(difluoromethoxy)ethyl]-N-[(2,4-difluorophenyl)methyl]-3-[[ethyl(formyl)amino]methyl]-1-hydroxy-6-methoxy-5-methyl-7-oxo-1,2-dihydroindolizine-8-carboxamide

C25H29F4N3O6 — CID 153355386

About 3-[2-(difluoromethoxy)ethyl]-N-[(2,4-difluorophenyl)methyl]-3-[[ethyl(formyl)amino]methyl]-1-hydroxy-6-methoxy-5-methyl-7-oxo-1,2-dihydroindolizine-8-carboxamide

3-[2-(difluoromethoxy)ethyl]-N-[(2,4-difluorophenyl)methyl]-3-[[ethyl(formyl)amino]methyl]-1-hydroxy-6-methoxy-5-methyl-7-oxo-1,2-dihydroindolizine-8-carboxamide (PubChem CID 153355386) has the molecular formula C25H29F4N3O6 and a molecular weight of 543.51 g/mol. Its IUPAC name is 3-[2-(difluoromethoxy)ethyl]-N-[(2,4-difluorophenyl)methyl]-3-[[ethyl(formyl)amino]methyl]-1-hydroxy-6-methoxy-5-methyl-7-oxo-1,2-dihydroindolizine-8-carboxamide.

Molecular Properties

• Compound Name: 3-[2-(difluoromethoxy)ethyl]-N-[(2,4-difluorophenyl)methyl]-3-[[ethyl(formyl)amino]methyl]-1-hydroxy-6-methoxy-5-methyl-7-oxo-1,2-dihydroindolizine-8-carboxamide
• PubChem CID: 153355386
• Molecular Formula: C25H29F4N3O6
• Molecular Weight: 543.51 g/mol
• Exact Mass: 543.20
• IUPAC Name: 3-[2-(difluoromethoxy)ethyl]-N-[(2,4-difluorophenyl)methyl]-3-[[ethyl(formyl)amino]methyl]-1-hydroxy-6-methoxy-5-methyl-7-oxo-1,2-dihydroindolizine-8-carboxamide
• SMILES: CCN(C=O)CC1(CCOC(F)F)CC(O)c2c(C(=O)NCc3ccc(F)cc3F)c(=O)c(OC)c(C)n21
• InChI: InChI=1S/C25H29F4N3O6/c1-4-31(13-33)12-25(7-8-38-24(28)29)10-18(34)20-19(21(35)22(37-3)14(2)32(20)25)23(36)30-11-15-5-6-16(26)9-17(15)27/h5-6,9,13,18,24,34H,4,7-8,10-12H2,1-3H3,(H,30,36)
• InChIKey: FVYYOVOWRRNIHB-UHFFFAOYSA-N
• XLogP: 2.61
• TPSA: 110.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	543.51
LogP ≤ 5	2.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[2-(difluoromethoxy)ethyl]-N-[(2,4-difluorophenyl)methyl]-3-[[ethyl(formyl)amino]methyl]-1-hydroxy-6-methoxy-5-methyl-7-oxo-1,2-dihydroindolizine-8-carboxamide?

The IUPAC name of 3-[2-(difluoromethoxy)ethyl]-N-[(2,4-difluorophenyl)methyl]-3-[[ethyl(formyl)amino]methyl]-1-hydroxy-6-methoxy-5-methyl-7-oxo-1,2-dihydroindolizine-8-carboxamide (CID 153355386) is 3-[2-(difluoromethoxy)ethyl]-N-[(2,4-difluorophenyl)methyl]-3-[[ethyl(formyl)amino]methyl]-1-hydroxy-6-methoxy-5-methyl-7-oxo-1,2-dihydroindolizine-8-carboxamide.

What is the SMILES notation for 3-[2-(difluoromethoxy)ethyl]-N-[(2,4-difluorophenyl)methyl]-3-[[ethyl(formyl)amino]methyl]-1-hydroxy-6-methoxy-5-methyl-7-oxo-1,2-dihydroindolizine-8-carboxamide?

The canonical SMILES for 3-[2-(difluoromethoxy)ethyl]-N-[(2,4-difluorophenyl)methyl]-3-[[ethyl(formyl)amino]methyl]-1-hydroxy-6-methoxy-5-methyl-7-oxo-1,2-dihydroindolizine-8-carboxamide is CCN(C=O)CC1(CCOC(F)F)CC(O)c2c(C(=O)NCc3ccc(F)cc3F)c(=O)c(OC)c(C)n21.

What is the InChIKey of 3-[2-(difluoromethoxy)ethyl]-N-[(2,4-difluorophenyl)methyl]-3-[[ethyl(formyl)amino]methyl]-1-hydroxy-6-methoxy-5-methyl-7-oxo-1,2-dihydroindolizine-8-carboxamide?

The InChIKey is FVYYOVOWRRNIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F4N3O6/c1-4-31(13-33)12-25(7-8-38-24(28)29)10-18(34)20-19(21(35)22(37-3)14(2)32(20)25)23(36)30-11-15-5-6-16(26)9-17(15)27/h5-6,9,13,18,24,34H,4,7-8,10-12H2,1-3H3,(H,30,36).

What are the key properties of 3-[2-(difluoromethoxy)ethyl]-N-[(2,4-difluorophenyl)methyl]-3-[[ethyl(formyl)amino]methyl]-1-hydroxy-6-methoxy-5-methyl-7-oxo-1,2-dihydroindolizine-8-carboxamide?

3-[2-(difluoromethoxy)ethyl]-N-[(2,4-difluorophenyl)methyl]-3-[[ethyl(formyl)amino]methyl]-1-hydroxy-6-methoxy-5-methyl-7-oxo-1,2-dihydroindolizine-8-carboxamide has a molecular weight of 543.51 g/mol, XLogP of 2.61, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-(difluoromethoxy)ethyl]-N-[(2,4-difluorophenyl)methyl]-3-[[ethyl(formyl)amino]methyl]-1-hydroxy-6-methoxy-5-methyl-7-oxo-1,2-dihydroindolizine-8-carboxamide is sourced from PubChem (CID 153355386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).