3-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-5-carboxamide

C30H31FN8O2 — CID 121249770

About 3-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-5-carboxamide

3-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-5-carboxamide (PubChem CID 121249770) has the molecular formula C30H31FN8O2 and a molecular weight of 554.63 g/mol. Its IUPAC name is 3-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-5-carboxamide.

Molecular Properties

• Compound Name: 3-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-5-carboxamide
• PubChem CID: 121249770
• Molecular Formula: C30H31FN8O2
• Molecular Weight: 554.63 g/mol
• Exact Mass: 554.26
• IUPAC Name: 3-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-5-carboxamide
• SMILES: CC(C)(C)c1noc(C(=O)NCc2ccc(-c3ccnc4nc(-c5ccc(N6CCCCC6)cn5)[nH]c34)cc2F)n1
• InChI: InChI=1S/C30H31FN8O2/c1-30(2,3)29-37-28(41-38-29)27(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: OLICKARUJMXBID-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 3-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-5-carboxamide?

The IUPAC name of 3-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-5-carboxamide (CID 121249770) is 3-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-5-carboxamide.

What is the SMILES notation for 3-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-5-carboxamide?

The canonical SMILES for 3-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-5-carboxamide is CC(C)(C)c1noc(C(=O)NCc2ccc(-c3ccnc4nc(-c5ccc(N6CCCCC6)cn5)[nH]c34)cc2F)n1.

What is the InChIKey of 3-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-5-carboxamide?

The InChIKey is OLICKARUJMXBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31FN8O2/c1-30(2,3)29-37-28(41-38-29)27(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 3-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-5-carboxamide?

3-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-5-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 3-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-5-carboxamide is sourced from PubChem (CID 121249770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).