N-[(7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-pyrazol-1-ylbenzamide

C23H19N5O2 — CID 45190536

About N-[(7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-pyrazol-1-ylbenzamide

N-[(7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-pyrazol-1-ylbenzamide (PubChem CID 45190536) has the molecular formula C23H19N5O2 and a molecular weight of 397.44 g/mol. Its IUPAC name is N-[(7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-pyrazol-1-ylbenzamide.

Molecular Properties

• Compound Name: N-[(7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-pyrazol-1-ylbenzamide
• PubChem CID: 45190536
• Molecular Formula: C23H19N5O2
• Molecular Weight: 397.44 g/mol
• Exact Mass: 397.15
• IUPAC Name: N-[(7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-pyrazol-1-ylbenzamide
• SMILES: O=C(NCC1Cc2cccc(-c3cnccn3)c2O1)c1ccc(-n2cccn2)cc1
• InChI: InChI=1S/C23H19N5O2/c29-23(16-5-7-18(8-6-16)28-12-2-9-27-28)26-14-19-13-17-3-1-4-20(22(17)30-19)21-15-24-10-11-25-21/h1-12,15,19H,13-14H2,(H,26,29)
• InChIKey: ZFEPHLTZLPVJFD-UHFFFAOYSA-N
• XLogP: 3.06
• TPSA: 81.93 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	397.44
LogP ≤ 5	3.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-pyrazol-1-ylbenzamide?

The IUPAC name of N-[(7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-pyrazol-1-ylbenzamide (CID 45190536) is N-[(7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-pyrazol-1-ylbenzamide.

What is the SMILES notation for N-[(7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-pyrazol-1-ylbenzamide?

The canonical SMILES for N-[(7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-pyrazol-1-ylbenzamide is O=C(NCC1Cc2cccc(-c3cnccn3)c2O1)c1ccc(-n2cccn2)cc1.

What is the InChIKey of N-[(7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-pyrazol-1-ylbenzamide?

The InChIKey is ZFEPHLTZLPVJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O2/c29-23(16-5-7-18(8-6-16)28-12-2-9-27-28)26-14-19-13-17-3-1-4-20(22(17)30-19)21-15-24-10-11-25-21/h1-12,15,19H,13-14H2,(H,26,29).

What are the key properties of N-[(7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-pyrazol-1-ylbenzamide?

N-[(7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-pyrazol-1-ylbenzamide has a molecular weight of 397.44 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-pyrazol-1-ylbenzamide is sourced from PubChem (CID 45190536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).