N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide

C24H26N6O3 — CID 56551243

About N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide

N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide (PubChem CID 56551243) has the molecular formula C24H26N6O3 and a molecular weight of 446.51 g/mol. Its IUPAC name is N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide.

Molecular Properties

• Compound Name: N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
• PubChem CID: 56551243
• Molecular Formula: C24H26N6O3
• Molecular Weight: 446.51 g/mol
• Exact Mass: 446.21
• IUPAC Name: N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
• SMILES: CCn1c(=O)c2ccccc2n(CC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccn2)c1=O
• InChI: InChI=1S/C24H26N6O3/c1-5-28-22(32)16-10-6-7-11-17(16)29(23(28)33)15-21(31)26-20-14-18(24(2,3)4)27-30(20)19-12-8-9-13-25-19/h6-14H,5,15H2,1-4H3,(H,26,31)
• InChIKey: WWZYTKMCYNFODN-UHFFFAOYSA-N
• XLogP: 2.70
• TPSA: 103.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.51
LogP ≤ 5	2.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide?

The IUPAC name of N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide (CID 56551243) is N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide.

What is the SMILES notation for N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide?

The canonical SMILES for N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide is CCn1c(=O)c2ccccc2n(CC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccn2)c1=O.

What is the InChIKey of N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide?

The InChIKey is WWZYTKMCYNFODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O3/c1-5-28-22(32)16-10-6-7-11-17(16)29(23(28)33)15-21(31)26-20-14-18(24(2,3)4)27-30(20)19-12-8-9-13-25-19/h6-14H,5,15H2,1-4H3,(H,26,31).

What are the key properties of N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide?

N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide has a molecular weight of 446.51 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide is sourced from PubChem (CID 56551243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).