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

C32H35FN8O2 — CID 121249741

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

5-tert-butyl-N-[[2-fluoro-4-[2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 121249741) has the molecular formula C32H35FN8O2 and a molecular weight of 582.68 g/mol. Its IUPAC name is 5-tert-butyl-N-[[2-fluoro-4-[2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-tert-butyl-N-[[2-fluoro-4-[2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide
• PubChem CID: 121249741
• Molecular Formula: C32H35FN8O2
• Molecular Weight: 582.68 g/mol
• Exact Mass: 582.29
• IUPAC Name: 5-tert-butyl-N-[[2-fluoro-4-[2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide
• SMILES: CN1CCN(Cc2ccc(-c3nc4nccc(-c5ccc(CNC(=O)c6noc(C(C)(C)C)n6)c(F)c5)c4[nH]3)cc2)CC1
• InChI: InChI=1S/C32H35FN8O2/c1-32(2,3)31-38-29(39-43-31)30(42)35-18-23-10-9-22(17-25(23)33)24-11-12-34-28-26(24)36-27(37-28)21-7-5-20(6-8-21)19-41-15-13-40(4)14-16-41/h5-12,17H,13-16,18-19H2,1-4H3,(H,35,42)(H,34,36,37)
• InChIKey: GCBKMEGLKJWVFQ-UHFFFAOYSA-N
• XLogP: 4.79
• TPSA: 116.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	582.68
LogP ≤ 5	4.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 5-tert-butyl-N-[[2-fluoro-4-[2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide (CID 121249741) is 5-tert-butyl-N-[[2-fluoro-4-[2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide.

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

The canonical SMILES for 5-tert-butyl-N-[[2-fluoro-4-[2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide is CN1CCN(Cc2ccc(-c3nc4nccc(-c5ccc(CNC(=O)c6noc(C(C)(C)C)n6)c(F)c5)c4[nH]3)cc2)CC1.

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

The InChIKey is GCBKMEGLKJWVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35FN8O2/c1-32(2,3)31-38-29(39-43-31)30(42)35-18-23-10-9-22(17-25(23)33)24-11-12-34-28-26(24)36-27(37-28)21-7-5-20(6-8-21)19-41-15-13-40(4)14-16-41/h5-12,17H,13-16,18-19H2,1-4H3,(H,35,42)(H,34,36,37).

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

5-tert-butyl-N-[[2-fluoro-4-[2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 582.68 g/mol, XLogP of 4.79, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-N-[[2-fluoro-4-[2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 121249741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).