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

C30H31FN8O2 — CID 121249686

About 5-tert-butyl-N-[[2-fluoro-4-[2-(5-piperidin-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-piperidin-1-yl-2-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 121249686) has the molecular formula C30H31FN8O2 and a molecular weight of 554.63 g/mol. Its IUPAC name is 5-tert-butyl-N-[[2-fluoro-4-[2-(5-piperidin-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-piperidin-1-yl-2-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide
• PubChem CID: 121249686
• Molecular Formula: C30H31FN8O2
• Molecular Weight: 554.63 g/mol
• Exact Mass: 554.26
• IUPAC Name: 5-tert-butyl-N-[[2-fluoro-4-[2-(5-piperidin-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(N6CCCCC6)cn5)[nH]c34)cc2F)no1
• InChI: InChI=1S/C30H31FN8O2/c1-30(2,3)29-37-27(38-41-29)28(40)34-16-19-8-7-18(15-22(19)31)21-11-12-32-26-24(21)35-25(36-26)23-10-9-20(17-33-23)39-13-5-4-6-14-39/h7-12,15,17H,4-6,13-14,16H2,1-3H3,(H,34,40)(H,32,35,36)
• InChIKey: GHTUIMWHRUEZAP-UHFFFAOYSA-N
• XLogP: 5.43
• TPSA: 125.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	554.63
LogP ≤ 5	5.43
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-(5-piperidin-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-piperidin-1-yl-2-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide (CID 121249686) is 5-tert-butyl-N-[[2-fluoro-4-[2-(5-piperidin-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-piperidin-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-piperidin-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(N6CCCCC6)cn5)[nH]c34)cc2F)no1.

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

The InChIKey is GHTUIMWHRUEZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31FN8O2/c1-30(2,3)29-37-27(38-41-29)28(40)34-16-19-8-7-18(15-22(19)31)21-11-12-32-26-24(21)35-25(36-26)23-10-9-20(17-33-23)39-13-5-4-6-14-39/h7-12,15,17H,4-6,13-14,16H2,1-3H3,(H,34,40)(H,32,35,36).

What are the key properties of 5-tert-butyl-N-[[2-fluoro-4-[2-(5-piperidin-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-piperidin-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 554.63 g/mol, XLogP of 5.43, 6 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-(5-piperidin-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 121249686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).