methyl 3-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl-phenylcarbamoyl]azetidine-1-carboxylate

C23H20F2N6O4 — CID 156840620

About methyl 3-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl-phenylcarbamoyl]azetidine-1-carboxylate

methyl 3-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl-phenylcarbamoyl]azetidine-1-carboxylate (PubChem CID 156840620) has the molecular formula C23H20F2N6O4 and a molecular weight of 482.45 g/mol. Its IUPAC name is methyl 3-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl-phenylcarbamoyl]azetidine-1-carboxylate.

Molecular Properties

• Compound Name: methyl 3-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl-phenylcarbamoyl]azetidine-1-carboxylate
• PubChem CID: 156840620
• Molecular Formula: C23H20F2N6O4
• Molecular Weight: 482.45 g/mol
• Exact Mass: 482.15
• IUPAC Name: methyl 3-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl-phenylcarbamoyl]azetidine-1-carboxylate
• SMILES: COC(=O)N1CC(C(=O)N(Cc2cn3ccc(-c4nnc(C(F)F)o4)cc3n2)c2ccccc2)C1
• InChI: InChI=1S/C23H20F2N6O4/c1-34-23(33)30-10-15(11-30)22(32)31(17-5-3-2-4-6-17)13-16-12-29-8-7-14(9-18(29)26-16)20-27-28-21(35-20)19(24)25/h2-9,12,15,19H,10-11,13H2,1H3
• InChIKey: AMCLGKOSJQOAQL-UHFFFAOYSA-N
• XLogP: 3.55
• TPSA: 106.07 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.45
LogP ≤ 5	3.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl-phenylcarbamoyl]azetidine-1-carboxylate?

The IUPAC name of methyl 3-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl-phenylcarbamoyl]azetidine-1-carboxylate (CID 156840620) is methyl 3-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl-phenylcarbamoyl]azetidine-1-carboxylate.

What is the SMILES notation for methyl 3-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl-phenylcarbamoyl]azetidine-1-carboxylate?

The canonical SMILES for methyl 3-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl-phenylcarbamoyl]azetidine-1-carboxylate is COC(=O)N1CC(C(=O)N(Cc2cn3ccc(-c4nnc(C(F)F)o4)cc3n2)c2ccccc2)C1.

What is the InChIKey of methyl 3-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl-phenylcarbamoyl]azetidine-1-carboxylate?

The InChIKey is AMCLGKOSJQOAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N6O4/c1-34-23(33)30-10-15(11-30)22(32)31(17-5-3-2-4-6-17)13-16-12-29-8-7-14(9-18(29)26-16)20-27-28-21(35-20)19(24)25/h2-9,12,15,19H,10-11,13H2,1H3.

What are the key properties of methyl 3-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl-phenylcarbamoyl]azetidine-1-carboxylate?

methyl 3-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl-phenylcarbamoyl]azetidine-1-carboxylate has a molecular weight of 482.45 g/mol, XLogP of 3.55, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 3-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl-phenylcarbamoyl]azetidine-1-carboxylate is sourced from PubChem (CID 156840620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).