2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-(pyridin-4-ylmethyl)acetamide

C23H24N4O3 — CID 42812239

About 2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-(pyridin-4-ylmethyl)acetamide

2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 42812239) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is 2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

• Compound Name: 2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-(pyridin-4-ylmethyl)acetamide
• PubChem CID: 42812239
• Molecular Formula: C23H24N4O3
• Molecular Weight: 404.47 g/mol
• Exact Mass: 404.18
• IUPAC Name: 2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-(pyridin-4-ylmethyl)acetamide
• SMILES: O=C(CN1CCn2cccc2C1c1ccc2c(c1)OCCO2)NCc1ccncc1
• InChI: InChI=1S/C23H24N4O3/c28-22(25-15-17-5-7-24-8-6-17)16-27-11-10-26-9-1-2-19(26)23(27)18-3-4-20-21(14-18)30-13-12-29-20/h1-9,14,23H,10-13,15-16H2,(H,25,28)
• InChIKey: QRIUITDCHIKQRZ-UHFFFAOYSA-N
• XLogP: 2.38
• TPSA: 68.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.47
LogP ≤ 5	2.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-(pyridin-4-ylmethyl)acetamide?

The IUPAC name of 2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-(pyridin-4-ylmethyl)acetamide (CID 42812239) is 2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-(pyridin-4-ylmethyl)acetamide.

What is the SMILES notation for 2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-(pyridin-4-ylmethyl)acetamide?

The canonical SMILES for 2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-(pyridin-4-ylmethyl)acetamide is O=C(CN1CCn2cccc2C1c1ccc2c(c1)OCCO2)NCc1ccncc1.

What is the InChIKey of 2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-(pyridin-4-ylmethyl)acetamide?

The InChIKey is QRIUITDCHIKQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c28-22(25-15-17-5-7-24-8-6-17)16-27-11-10-26-9-1-2-19(26)23(27)18-3-4-20-21(14-18)30-13-12-29-20/h1-9,14,23H,10-13,15-16H2,(H,25,28).

What are the key properties of 2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-(pyridin-4-ylmethyl)acetamide?

2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 404.47 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 42812239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).