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

C26H26F2N6O3 — CID 156840655

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

N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-1-(oxetan-3-yl)-N-phenylpiperidine-4-carboxamide (PubChem CID 156840655) has the molecular formula C26H26F2N6O3 and a molecular weight of 508.53 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-(oxetan-3-yl)-N-phenylpiperidine-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-(oxetan-3-yl)-N-phenylpiperidine-4-carboxamide
• PubChem CID: 156840655
• Molecular Formula: C26H26F2N6O3
• Molecular Weight: 508.53 g/mol
• Exact Mass: 508.20
• IUPAC Name: N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-1-(oxetan-3-yl)-N-phenylpiperidine-4-carboxamide
• SMILES: O=C(C1CCN(C2COC2)CC1)N(Cc1cn2ccc(-c3nnc(C(F)F)o3)cc2n1)c1ccccc1
• InChI: InChI=1S/C26H26F2N6O3/c27-23(28)25-31-30-24(37-25)18-8-11-33-13-19(29-22(33)12-18)14-34(20-4-2-1-3-5-20)26(35)17-6-9-32(10-7-17)21-15-36-16-21/h1-5,8,11-13,17,21,23H,6-7,9-10,14-16H2
• InChIKey: RVCDMTQZDQDCHE-UHFFFAOYSA-N
• XLogP: 3.97
• TPSA: 89.00 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.53
LogP ≤ 5	3.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

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-(oxetan-3-yl)-N-phenylpiperidine-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-(oxetan-3-yl)-N-phenylpiperidine-4-carboxamide (CID 156840655) is N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-1-(oxetan-3-yl)-N-phenylpiperidine-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-(oxetan-3-yl)-N-phenylpiperidine-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-(oxetan-3-yl)-N-phenylpiperidine-4-carboxamide is O=C(C1CCN(C2COC2)CC1)N(Cc1cn2ccc(-c3nnc(C(F)F)o3)cc2n1)c1ccccc1.

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

The InChIKey is RVCDMTQZDQDCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F2N6O3/c27-23(28)25-31-30-24(37-25)18-8-11-33-13-19(29-22(33)12-18)14-34(20-4-2-1-3-5-20)26(35)17-6-9-32(10-7-17)21-15-36-16-21/h1-5,8,11-13,17,21,23H,6-7,9-10,14-16H2.

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-(oxetan-3-yl)-N-phenylpiperidine-4-carboxamide?

N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-1-(oxetan-3-yl)-N-phenylpiperidine-4-carboxamide has a molecular weight of 508.53 g/mol, XLogP of 3.97, 7 rotatable bonds, 0 hydrogen bond donors, and 8 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-(oxetan-3-yl)-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 156840655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).