tert-butyl 4-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl-(3-fluorophenyl)carbamoyl]piperidine-1-carboxylate

C28H29F3N6O4 — CID 156840573

About tert-butyl 4-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl-(3-fluorophenyl)carbamoyl]piperidine-1-carboxylate

tert-butyl 4-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl-(3-fluorophenyl)carbamoyl]piperidine-1-carboxylate (PubChem CID 156840573) has the molecular formula C28H29F3N6O4 and a molecular weight of 570.57 g/mol. Its IUPAC name is tert-butyl 4-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl-(3-fluorophenyl)carbamoyl]piperidine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 4-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl-(3-fluorophenyl)carbamoyl]piperidine-1-carboxylate
• PubChem CID: 156840573
• Molecular Formula: C28H29F3N6O4
• Molecular Weight: 570.57 g/mol
• Exact Mass: 570.22
• IUPAC Name: tert-butyl 4-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl-(3-fluorophenyl)carbamoyl]piperidine-1-carboxylate
• SMILES: CC(C)(C)OC(=O)N1CCC(C(=O)N(Cc2cn3ccc(-c4nnc(C(F)F)o4)cc3n2)c2cccc(F)c2)CC1
• InChI: InChI=1S/C28H29F3N6O4/c1-28(2,3)41-27(39)35-10-7-17(8-11-35)26(38)37(21-6-4-5-19(29)14-21)16-20-15-36-12-9-18(13-22(36)32-20)24-33-34-25(40-24)23(30)31/h4-6,9,12-15,17,23H,7-8,10-11,16H2,1-3H3
• InChIKey: OKRMDKFIMXVQDJ-UHFFFAOYSA-N
• XLogP: 5.64
• TPSA: 106.07 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	570.57
LogP ≤ 5	5.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl-(3-fluorophenyl)carbamoyl]piperidine-1-carboxylate?

The IUPAC name of tert-butyl 4-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl-(3-fluorophenyl)carbamoyl]piperidine-1-carboxylate (CID 156840573) is tert-butyl 4-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl-(3-fluorophenyl)carbamoyl]piperidine-1-carboxylate.

What is the SMILES notation for tert-butyl 4-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl-(3-fluorophenyl)carbamoyl]piperidine-1-carboxylate?

The canonical SMILES for tert-butyl 4-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl-(3-fluorophenyl)carbamoyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C(=O)N(Cc2cn3ccc(-c4nnc(C(F)F)o4)cc3n2)c2cccc(F)c2)CC1.

What is the InChIKey of tert-butyl 4-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl-(3-fluorophenyl)carbamoyl]piperidine-1-carboxylate?

The InChIKey is OKRMDKFIMXVQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29F3N6O4/c1-28(2,3)41-27(39)35-10-7-17(8-11-35)26(38)37(21-6-4-5-19(29)14-21)16-20-15-36-12-9-18(13-22(36)32-20)24-33-34-25(40-24)23(30)31/h4-6,9,12-15,17,23H,7-8,10-11,16H2,1-3H3.

What are the key properties of tert-butyl 4-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl-(3-fluorophenyl)carbamoyl]piperidine-1-carboxylate?

tert-butyl 4-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl-(3-fluorophenyl)carbamoyl]piperidine-1-carboxylate has a molecular weight of 570.57 g/mol, XLogP of 5.64, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl-(3-fluorophenyl)carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 156840573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).