5-tert-butyl-N-[[4-[2-[1-[2-(1,3-dioxoisoindol-2-yl)ethyl]pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-3-carboxamide

C33H28FN9O4 — CID 121249749

About 5-tert-butyl-N-[[4-[2-[1-[2-(1,3-dioxoisoindol-2-yl)ethyl]pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-3-carboxamide

5-tert-butyl-N-[[4-[2-[1-[2-(1,3-dioxoisoindol-2-yl)ethyl]pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 121249749) has the molecular formula C33H28FN9O4 and a molecular weight of 633.64 g/mol. Its IUPAC name is 5-tert-butyl-N-[[4-[2-[1-[2-(1,3-dioxoisoindol-2-yl)ethyl]pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-tert-butyl-N-[[4-[2-[1-[2-(1,3-dioxoisoindol-2-yl)ethyl]pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-3-carboxamide
• PubChem CID: 121249749
• Molecular Formula: C33H28FN9O4
• Molecular Weight: 633.64 g/mol
• Exact Mass: 633.22
• IUPAC Name: 5-tert-butyl-N-[[4-[2-[1-[2-(1,3-dioxoisoindol-2-yl)ethyl]pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-3-carboxamide
• SMILES: CC(C)(C)c1nc(C(=O)NCc2ccc(-c3ccnc4nc(-c5cnn(CCN6C(=O)c7ccccc7C6=O)c5)[nH]c34)cc2F)no1
• InChI: InChI=1S/C33H28FN9O4/c1-33(2,3)32-40-28(41-47-32)29(44)36-15-19-9-8-18(14-24(19)34)21-10-11-35-27-25(21)38-26(39-27)20-16-37-42(17-20)12-13-43-30(45)22-6-4-5-7-23(22)31(43)46/h4-11,14,16-17H,12-13,15H2,1-3H3,(H,36,44)(H,35,38,39)
• InChIKey: VVWCISOLOWMSAD-UHFFFAOYSA-N
• XLogP: 4.53
• TPSA: 164.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	633.64
LogP ≤ 5	4.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[[4-[2-[1-[2-(1,3-dioxoisoindol-2-yl)ethyl]pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-3-carboxamide?

The IUPAC name of 5-tert-butyl-N-[[4-[2-[1-[2-(1,3-dioxoisoindol-2-yl)ethyl]pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-3-carboxamide (CID 121249749) is 5-tert-butyl-N-[[4-[2-[1-[2-(1,3-dioxoisoindol-2-yl)ethyl]pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-3-carboxamide.

What is the SMILES notation for 5-tert-butyl-N-[[4-[2-[1-[2-(1,3-dioxoisoindol-2-yl)ethyl]pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-3-carboxamide?

The canonical SMILES for 5-tert-butyl-N-[[4-[2-[1-[2-(1,3-dioxoisoindol-2-yl)ethyl]pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-3-carboxamide is CC(C)(C)c1nc(C(=O)NCc2ccc(-c3ccnc4nc(-c5cnn(CCN6C(=O)c7ccccc7C6=O)c5)[nH]c34)cc2F)no1.

What is the InChIKey of 5-tert-butyl-N-[[4-[2-[1-[2-(1,3-dioxoisoindol-2-yl)ethyl]pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-3-carboxamide?

The InChIKey is VVWCISOLOWMSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28FN9O4/c1-33(2,3)32-40-28(41-47-32)29(44)36-15-19-9-8-18(14-24(19)34)21-10-11-35-27-25(21)38-26(39-27)20-16-37-42(17-20)12-13-43-30(45)22-6-4-5-7-23(22)31(43)46/h4-11,14,16-17H,12-13,15H2,1-3H3,(H,36,44)(H,35,38,39).

What are the key properties of 5-tert-butyl-N-[[4-[2-[1-[2-(1,3-dioxoisoindol-2-yl)ethyl]pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-3-carboxamide?

5-tert-butyl-N-[[4-[2-[1-[2-(1,3-dioxoisoindol-2-yl)ethyl]pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 633.64 g/mol, XLogP of 4.53, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-N-[[4-[2-[1-[2-(1,3-dioxoisoindol-2-yl)ethyl]pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 121249749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).