1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-[6-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone

C30H33N7O2 — CID 167532646

About 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-[6-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone

1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-[6-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone (PubChem CID 167532646) has the molecular formula C30H33N7O2 and a molecular weight of 523.64 g/mol. Its IUPAC name is 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-[6-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-[6-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone
• PubChem CID: 167532646
• Molecular Formula: C30H33N7O2
• Molecular Weight: 523.64 g/mol
• Exact Mass: 523.27
• IUPAC Name: 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-[6-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone
• SMILES: CC(C)n1cc(-c2nc3nccc(-c4ccc5c(c4)CCCC5CC(=O)c4nc(C(C)(C)C)no4)c3[nH]2)cn1
• InChI: InChI=1S/C30H33N7O2/c1-17(2)37-16-21(15-32-37)26-33-25-23(11-12-31-27(25)34-26)20-9-10-22-18(13-20)7-6-8-19(22)14-24(38)28-35-29(36-39-28)30(3,4)5/h9-13,15-17,19H,6-8,14H2,1-5H3,(H,31,33,34)
• InChIKey: NWOCHUPRZNBRGA-UHFFFAOYSA-N
• XLogP: 6.44
• TPSA: 115.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	523.64
LogP ≤ 5	6.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-[6-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone?

The IUPAC name of 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-[6-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone (CID 167532646) is 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-[6-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone.

What is the SMILES notation for 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-[6-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone?

The canonical SMILES for 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-[6-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone is CC(C)n1cc(-c2nc3nccc(-c4ccc5c(c4)CCCC5CC(=O)c4nc(C(C)(C)C)no4)c3[nH]2)cn1.

What is the InChIKey of 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-[6-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone?

The InChIKey is NWOCHUPRZNBRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N7O2/c1-17(2)37-16-21(15-32-37)26-33-25-23(11-12-31-27(25)34-26)20-9-10-22-18(13-20)7-6-8-19(22)14-24(38)28-35-29(36-39-28)30(3,4)5/h9-13,15-17,19H,6-8,14H2,1-5H3,(H,31,33,34).

What are the key properties of 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-[6-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone?

1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-[6-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone has a molecular weight of 523.64 g/mol, XLogP of 6.44, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-[6-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone is sourced from PubChem (CID 167532646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).