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

C29H31N7O2 — CID 167591304

About 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-[6-[2-(1,3-dimethylpyrazol-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-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone (PubChem CID 167591304) has the molecular formula C29H31N7O2 and a molecular weight of 509.61 g/mol. Its IUPAC name is 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-[6-[2-(1,3-dimethylpyrazol-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-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone
• PubChem CID: 167591304
• Molecular Formula: C29H31N7O2
• Molecular Weight: 509.61 g/mol
• Exact Mass: 509.25
• IUPAC Name: 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-[6-[2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone
• SMILES: Cc1nn(C)cc1-c1nc2nccc(-c3ccc4c(c3)CCCC4CC(=O)c3nc(C(C)(C)C)no3)c2[nH]1
• InChI: InChI=1S/C29H31N7O2/c1-16-22(15-36(5)34-16)25-31-24-21(11-12-30-26(24)32-25)19-9-10-20-17(13-19)7-6-8-18(20)14-23(37)27-33-28(35-38-27)29(2,3)4/h9-13,15,18H,6-8,14H2,1-5H3,(H,30,31,32)
• InChIKey: YMBZLWAXSVCTTB-UHFFFAOYSA-N
• XLogP: 5.71
• TPSA: 115.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	509.61
LogP ≤ 5	5.71
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-(1,3-dimethylpyrazol-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-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone (CID 167591304) is 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-[6-[2-(1,3-dimethylpyrazol-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-(1,3-dimethylpyrazol-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-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone is Cc1nn(C)cc1-c1nc2nccc(-c3ccc4c(c3)CCCC4CC(=O)c3nc(C(C)(C)C)no3)c2[nH]1.

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

The InChIKey is YMBZLWAXSVCTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N7O2/c1-16-22(15-36(5)34-16)25-31-24-21(11-12-30-26(24)32-25)19-9-10-20-17(13-19)7-6-8-18(20)14-23(37)27-33-28(35-38-27)29(2,3)4/h9-13,15,18H,6-8,14H2,1-5H3,(H,30,31,32).

What are the key properties of 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-[6-[2-(1,3-dimethylpyrazol-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-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone has a molecular weight of 509.61 g/mol, XLogP of 5.71, 5 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-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone is sourced from PubChem (CID 167591304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).