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

C₃₁H₃₀FN₇O₄ — CID 121264921

About 5-tert-butyl-N-[[2-fluoro-4-[2-[4-(morpholine-4-carbonyl)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-(morpholine-4-carbonyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 121264921) has the molecular formula C₃₁H₃₀FN₇O₄ and a molecular weight of 583.62 g/mol. Its IUPAC name is 5-tert-butyl-N-[[2-fluoro-4-[2-[4-(morpholine-4-carbonyl)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-(morpholine-4-carbonyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide
• PubChem CID: 121264921
• Molecular Formula: C₃₁H₃₀FN₇O₄
• Molecular Weight: 583.62 g/mol
• Exact Mass: 583.23
• IUPAC Name: 5-tert-butyl-N-[[2-fluoro-4-[2-[4-(morpholine-4-carbonyl)phenyl]-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(C(=O)N6CCOCC6)cc5)[nH]c34)cc2F)no1
• InChI: InChI=1S/C31H30FN7O4/c1-31(2,3)30-37-27(38-43-30)28(40)34-17-21-9-8-20(16-23(21)32)22-10-11-33-26-24(22)35-25(36-26)18-4-6-19(7-5-18)29(41)39-12-14-42-15-13-39/h4-11,16H,12-15,17H2,1-3H3,(H,34,40)(H,33,35,36)
• InChIKey: QUYROGOIUCXQBB-UHFFFAOYSA-N
• XLogP: 4.51
• TPSA: 139.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	583.62
LogP ≤ 5	4.51
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-(morpholine-4-carbonyl)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-(morpholine-4-carbonyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide (CID 121264921) is 5-tert-butyl-N-[[2-fluoro-4-[2-[4-(morpholine-4-carbonyl)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-(morpholine-4-carbonyl)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-(morpholine-4-carbonyl)phenyl]-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(C(=O)N6CCOCC6)cc5)[nH]c34)cc2F)no1.

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

The InChIKey is QUYROGOIUCXQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30FN7O4/c1-31(2,3)30-37-27(38-43-30)28(40)34-17-21-9-8-20(16-23(21)32)22-10-11-33-26-24(22)35-25(36-26)18-4-6-19(7-5-18)29(41)39-12-14-42-15-13-39/h4-11,16H,12-15,17H2,1-3H3,(H,34,40)(H,33,35,36).

What are the key properties of 5-tert-butyl-N-[[2-fluoro-4-[2-[4-(morpholine-4-carbonyl)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-(morpholine-4-carbonyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 583.62 g/mol, XLogP of 4.51, 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-[4-(morpholine-4-carbonyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 121264921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 121264921 — identifiers, structure, computed properties (public domain)

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