N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-1-ethyl-N-(3-fluorophenyl)piperidine-4-carboxamide

C25H25F3N6O2 — CID 156840659

About N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-1-ethyl-N-(3-fluorophenyl)piperidine-4-carboxamide

N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-1-ethyl-N-(3-fluorophenyl)piperidine-4-carboxamide (PubChem CID 156840659) has the molecular formula C25H25F3N6O2 and a molecular weight of 498.51 g/mol. Its IUPAC name is N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-1-ethyl-N-(3-fluorophenyl)piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-1-ethyl-N-(3-fluorophenyl)piperidine-4-carboxamide
• PubChem CID: 156840659
• Molecular Formula: C25H25F3N6O2
• Molecular Weight: 498.51 g/mol
• Exact Mass: 498.20
• IUPAC Name: N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-1-ethyl-N-(3-fluorophenyl)piperidine-4-carboxamide
• SMILES: CCN1CCC(C(=O)N(Cc2cn3ccc(-c4nnc(C(F)F)o4)cc3n2)c2cccc(F)c2)CC1
• InChI: InChI=1S/C25H25F3N6O2/c1-2-32-9-6-16(7-10-32)25(35)34(20-5-3-4-18(26)13-20)15-19-14-33-11-8-17(12-21(33)29-19)23-30-31-24(36-23)22(27)28/h3-5,8,11-14,16,22H,2,6-7,9-10,15H2,1H3
• InChIKey: APMLOBLPJAHBRP-UHFFFAOYSA-N
• XLogP: 4.73
• TPSA: 79.77 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	498.51
LogP ≤ 5	4.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-1-ethyl-N-(3-fluorophenyl)piperidine-4-carboxamide (CID 156840659) is N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-1-ethyl-N-(3-fluorophenyl)piperidine-4-carboxamide.

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

The canonical SMILES for N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-1-ethyl-N-(3-fluorophenyl)piperidine-4-carboxamide is CCN1CCC(C(=O)N(Cc2cn3ccc(-c4nnc(C(F)F)o4)cc3n2)c2cccc(F)c2)CC1.

What is the InChIKey of N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-1-ethyl-N-(3-fluorophenyl)piperidine-4-carboxamide?

The InChIKey is APMLOBLPJAHBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N6O2/c1-2-32-9-6-16(7-10-32)25(35)34(20-5-3-4-18(26)13-20)15-19-14-33-11-8-17(12-21(33)29-19)23-30-31-24(36-23)22(27)28/h3-5,8,11-14,16,22H,2,6-7,9-10,15H2,1H3.

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

N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-1-ethyl-N-(3-fluorophenyl)piperidine-4-carboxamide has a molecular weight of 498.51 g/mol, XLogP of 4.73, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-1-ethyl-N-(3-fluorophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 156840659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).