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

C29H29FN8O2 — CID 121249850

About 5-tert-butyl-N-[[2-fluoro-4-[2-(5-pyrrolidin-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-pyrrolidin-1-yl-2-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 121249850) has the molecular formula C29H29FN8O2 and a molecular weight of 540.60 g/mol. Its IUPAC name is 5-tert-butyl-N-[[2-fluoro-4-[2-(5-pyrrolidin-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-pyrrolidin-1-yl-2-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide
• PubChem CID: 121249850
• Molecular Formula: C29H29FN8O2
• Molecular Weight: 540.60 g/mol
• Exact Mass: 540.24
• IUPAC Name: 5-tert-butyl-N-[[2-fluoro-4-[2-(5-pyrrolidin-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(N6CCCC6)cn5)[nH]c34)cc2F)no1
• InChI: InChI=1S/C29H29FN8O2/c1-29(2,3)28-36-26(37-40-28)27(39)33-15-18-7-6-17(14-21(18)30)20-10-11-31-25-23(20)34-24(35-25)22-9-8-19(16-32-22)38-12-4-5-13-38/h6-11,14,16H,4-5,12-13,15H2,1-3H3,(H,33,39)(H,31,34,35)
• InChIKey: PRHZGASLZLXNSE-UHFFFAOYSA-N
• XLogP: 5.04
• TPSA: 125.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	540.60
LogP ≤ 5	5.04
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-pyrrolidin-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-pyrrolidin-1-yl-2-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide (CID 121249850) is 5-tert-butyl-N-[[2-fluoro-4-[2-(5-pyrrolidin-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-pyrrolidin-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-pyrrolidin-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(N6CCCC6)cn5)[nH]c34)cc2F)no1.

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

The InChIKey is PRHZGASLZLXNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29FN8O2/c1-29(2,3)28-36-26(37-40-28)27(39)33-15-18-7-6-17(14-21(18)30)20-10-11-31-25-23(20)34-24(35-25)22-9-8-19(16-32-22)38-12-4-5-13-38/h6-11,14,16H,4-5,12-13,15H2,1-3H3,(H,33,39)(H,31,34,35).

What are the key properties of 5-tert-butyl-N-[[2-fluoro-4-[2-(5-pyrrolidin-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-pyrrolidin-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 540.60 g/mol, XLogP of 5.04, 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-pyrrolidin-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 121249850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).