3-tert-butyl-N-[[2-fluoro-4-[2-(2-methylpropyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide

C24H27FN6O2 — CID 121249823

About 3-tert-butyl-N-[[2-fluoro-4-[2-(2-methylpropyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide

3-tert-butyl-N-[[2-fluoro-4-[2-(2-methylpropyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 121249823) has the molecular formula C24H27FN6O2 and a molecular weight of 450.52 g/mol. Its IUPAC name is 3-tert-butyl-N-[[2-fluoro-4-[2-(2-methylpropyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

• Compound Name: 3-tert-butyl-N-[[2-fluoro-4-[2-(2-methylpropyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
• PubChem CID: 121249823
• Molecular Formula: C24H27FN6O2
• Molecular Weight: 450.52 g/mol
• Exact Mass: 450.22
• IUPAC Name: 3-tert-butyl-N-[[2-fluoro-4-[2-(2-methylpropyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
• SMILES: CC(C)Cc1nc2nccc(-c3ccc(CNC(=O)c4nc(C(C)(C)C)no4)c(F)c3)c2[nH]1
• InChI: InChI=1S/C24H27FN6O2/c1-13(2)10-18-28-19-16(8-9-26-20(19)29-18)14-6-7-15(17(25)11-14)12-27-21(32)22-30-23(31-33-22)24(3,4)5/h6-9,11,13H,10,12H2,1-5H3,(H,27,32)(H,26,28,29)
• InChIKey: SRPANDFNWSTLKR-UHFFFAOYSA-N
• XLogP: 4.57
• TPSA: 109.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.52
LogP ≤ 5	4.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-tert-butyl-N-[[2-fluoro-4-[2-(2-methylpropyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide (CID 121249823) is 3-tert-butyl-N-[[2-fluoro-4-[2-(2-methylpropyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide.

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

The canonical SMILES for 3-tert-butyl-N-[[2-fluoro-4-[2-(2-methylpropyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide is CC(C)Cc1nc2nccc(-c3ccc(CNC(=O)c4nc(C(C)(C)C)no4)c(F)c3)c2[nH]1.

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

The InChIKey is SRPANDFNWSTLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN6O2/c1-13(2)10-18-28-19-16(8-9-26-20(19)29-18)14-6-7-15(17(25)11-14)12-27-21(32)22-30-23(31-33-22)24(3,4)5/h6-9,11,13H,10,12H2,1-5H3,(H,27,32)(H,26,28,29).

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

3-tert-butyl-N-[[2-fluoro-4-[2-(2-methylpropyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 450.52 g/mol, XLogP of 4.57, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-tert-butyl-N-[[2-fluoro-4-[2-(2-methylpropyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 121249823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).