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

C30H31FN8O3 — CID 121249807

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

5-tert-butyl-N-[[2-fluoro-4-[2-[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 121249807) has the molecular formula C30H31FN8O3 and a molecular weight of 570.63 g/mol. Its IUPAC name is 5-tert-butyl-N-[[2-fluoro-4-[2-[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]-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-[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide
• PubChem CID: 121249807
• Molecular Formula: C30H31FN8O3
• Molecular Weight: 570.63 g/mol
• Exact Mass: 570.25
• IUPAC Name: 5-tert-butyl-N-[[2-fluoro-4-[2-[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide
• SMILES: CC(C)(C)c1nc(C(=O)NCc2ccc(-c3ccnc4nc(-c5ccc(N6CCC(O)CC6)cn5)[nH]c34)cc2F)no1
• InChI: InChI=1S/C30H31FN8O3/c1-30(2,3)29-37-27(38-42-29)28(41)34-15-18-5-4-17(14-22(18)31)21-8-11-32-26-24(21)35-25(36-26)23-7-6-19(16-33-23)39-12-9-20(40)10-13-39/h4-8,11,14,16,20,40H,9-10,12-13,15H2,1-3H3,(H,34,41)(H,32,35,36)
• InChIKey: YOSRLZHYDWTYJM-UHFFFAOYSA-N
• XLogP: 4.40
• TPSA: 145.95 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	570.63
LogP ≤ 5	4.40
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[[2-fluoro-4-[2-[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]-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-[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide (CID 121249807) is 5-tert-butyl-N-[[2-fluoro-4-[2-[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]-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-[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]-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-[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide is CC(C)(C)c1nc(C(=O)NCc2ccc(-c3ccnc4nc(-c5ccc(N6CCC(O)CC6)cn5)[nH]c34)cc2F)no1.

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

The InChIKey is YOSRLZHYDWTYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31FN8O3/c1-30(2,3)29-37-27(38-42-29)28(41)34-15-18-5-4-17(14-22(18)31)21-8-11-32-26-24(21)35-25(36-26)23-7-6-19(16-33-23)39-12-9-20(40)10-13-39/h4-8,11,14,16,20,40H,9-10,12-13,15H2,1-3H3,(H,34,41)(H,32,35,36).

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

5-tert-butyl-N-[[2-fluoro-4-[2-[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 570.63 g/mol, XLogP of 4.40, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-N-[[2-fluoro-4-[2-[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 121249807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).