5-tert-butyl-N-[[4-[2-(3,6-dihydro-2H-pyran-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,3,4-oxadiazole-2-carboxamide

C25H25FN6O3 — CID 121249804

About 5-tert-butyl-N-[[4-[2-(3,6-dihydro-2H-pyran-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,3,4-oxadiazole-2-carboxamide

5-tert-butyl-N-[[4-[2-(3,6-dihydro-2H-pyran-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,3,4-oxadiazole-2-carboxamide (PubChem CID 121249804) has the molecular formula C25H25FN6O3 and a molecular weight of 476.51 g/mol. Its IUPAC name is 5-tert-butyl-N-[[4-[2-(3,6-dihydro-2H-pyran-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

• Compound Name: 5-tert-butyl-N-[[4-[2-(3,6-dihydro-2H-pyran-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,3,4-oxadiazole-2-carboxamide
• PubChem CID: 121249804
• Molecular Formula: C25H25FN6O3
• Molecular Weight: 476.51 g/mol
• Exact Mass: 476.20
• IUPAC Name: 5-tert-butyl-N-[[4-[2-(3,6-dihydro-2H-pyran-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,3,4-oxadiazole-2-carboxamide
• SMILES: CC(C)(C)c1nnc(C(=O)NCc2ccc(-c3ccnc4nc(C5=CCOCC5)[nH]c34)cc2F)o1
• InChI: InChI=1S/C25H25FN6O3/c1-25(2,3)24-32-31-23(35-24)22(33)28-13-16-5-4-15(12-18(16)26)17-6-9-27-21-19(17)29-20(30-21)14-7-10-34-11-8-14/h4-7,9,12H,8,10-11,13H2,1-3H3,(H,28,33)(H,27,29,30)
• InChIKey: OUJIMTFTQUEVOK-UHFFFAOYSA-N
• XLogP: 4.18
• TPSA: 118.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.51
LogP ≤ 5	4.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[[4-[2-(3,6-dihydro-2H-pyran-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,3,4-oxadiazole-2-carboxamide?

The IUPAC name of 5-tert-butyl-N-[[4-[2-(3,6-dihydro-2H-pyran-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,3,4-oxadiazole-2-carboxamide (CID 121249804) is 5-tert-butyl-N-[[4-[2-(3,6-dihydro-2H-pyran-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,3,4-oxadiazole-2-carboxamide.

What is the SMILES notation for 5-tert-butyl-N-[[4-[2-(3,6-dihydro-2H-pyran-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,3,4-oxadiazole-2-carboxamide?

The canonical SMILES for 5-tert-butyl-N-[[4-[2-(3,6-dihydro-2H-pyran-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,3,4-oxadiazole-2-carboxamide is CC(C)(C)c1nnc(C(=O)NCc2ccc(-c3ccnc4nc(C5=CCOCC5)[nH]c34)cc2F)o1.

What is the InChIKey of 5-tert-butyl-N-[[4-[2-(3,6-dihydro-2H-pyran-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,3,4-oxadiazole-2-carboxamide?

The InChIKey is OUJIMTFTQUEVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN6O3/c1-25(2,3)24-32-31-23(35-24)22(33)28-13-16-5-4-15(12-18(16)26)17-6-9-27-21-19(17)29-20(30-21)14-7-10-34-11-8-14/h4-7,9,12H,8,10-11,13H2,1-3H3,(H,28,33)(H,27,29,30).

What are the key properties of 5-tert-butyl-N-[[4-[2-(3,6-dihydro-2H-pyran-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,3,4-oxadiazole-2-carboxamide?

5-tert-butyl-N-[[4-[2-(3,6-dihydro-2H-pyran-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 476.51 g/mol, XLogP of 4.18, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-N-[[4-[2-(3,6-dihydro-2H-pyran-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 121249804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).