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

C26H24FN7O3 — CID 121249783

About 3-tert-butyl-N-[[2-fluoro-4-[2-(2-methoxy-3-pyridinyl)-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-methoxy-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 121249783) has the molecular formula C26H24FN7O3 and a molecular weight of 501.52 g/mol. Its IUPAC name is 3-tert-butyl-N-[[2-fluoro-4-[2-(2-methoxy-3-pyridinyl)-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-methoxy-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
• PubChem CID: 121249783
• Molecular Formula: C26H24FN7O3
• Molecular Weight: 501.52 g/mol
• Exact Mass: 501.19
• IUPAC Name: 3-tert-butyl-N-[[2-fluoro-4-[2-(2-methoxy-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
• SMILES: COc1ncccc1-c1nc2nccc(-c3ccc(CNC(=O)c4nc(C(C)(C)C)no4)c(F)c3)c2[nH]1
• InChI: InChI=1S/C26H24FN7O3/c1-26(2,3)25-33-24(37-34-25)22(35)30-13-15-8-7-14(12-18(15)27)16-9-11-28-21-19(16)31-20(32-21)17-6-5-10-29-23(17)36-4/h5-12H,13H2,1-4H3,(H,30,35)(H,28,31,32)
• InChIKey: XICSPTDIXWFAAW-UHFFFAOYSA-N
• XLogP: 4.45
• TPSA: 131.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.52
LogP ≤ 5	4.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-[[2-fluoro-4-[2-(2-methoxy-3-pyridinyl)-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-methoxy-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide (CID 121249783) is 3-tert-butyl-N-[[2-fluoro-4-[2-(2-methoxy-3-pyridinyl)-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-methoxy-3-pyridinyl)-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-methoxy-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide is COc1ncccc1-c1nc2nccc(-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-methoxy-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide?

The InChIKey is XICSPTDIXWFAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN7O3/c1-26(2,3)25-33-24(37-34-25)22(35)30-13-15-8-7-14(12-18(15)27)16-9-11-28-21-19(16)31-20(32-21)17-6-5-10-29-23(17)36-4/h5-12H,13H2,1-4H3,(H,30,35)(H,28,31,32).

What are the key properties of 3-tert-butyl-N-[[2-fluoro-4-[2-(2-methoxy-3-pyridinyl)-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-methoxy-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 501.52 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-tert-butyl-N-[[2-fluoro-4-[2-(2-methoxy-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 121249783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).