N-[[5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(2-methyl-1H-indol-3-yl)acetamide

C26H26N4O2 — CID 45166280

IUPACN-[[5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(2-methyl-1H-indol-3-yl)acetamide
SMILESCc1cnc(C)c(-c2ccc3c(c2)CC(CNC(=O)Cc2c(C)[nH]c4ccccc24)O3)n1
InChIInChI=1S/C26H26N4O2/c1-15-13-27-17(3)26(29-15)18-8-9-24-19(10-18)11-20(32-24)14-28-25(31)12-22-16(2)30-23-7-5-4-6-21(22)23/h4-10,13,20,30H,11-12,14H2,1-3H3,(H,28,31)
InChIKeyZSNQXPCZZCYCPM-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.21
Rot. Bonds5

About N-[[5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(2-methyl-1H-indol-3-yl)acetamide

N-[[5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(2-methyl-1H-indol-3-yl)acetamide (PubChem CID 45166280) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is N-[[5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(2-methyl-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[[5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(2-methyl-1H-indol-3-yl)acetamide
PubChem CID45166280
Molecular FormulaC26H26N4O2
Molecular Weight426.52 g/mol
Exact Mass426.21
IUPAC NameN-[[5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(2-methyl-1H-indol-3-yl)acetamide
SMILESCc1cnc(C)c(-c2ccc3c(c2)CC(CNC(=O)Cc2c(C)[nH]c4ccccc24)O3)n1
InChIInChI=1S/C26H26N4O2/c1-15-13-27-17(3)26(29-15)18-8-9-24-19(10-18)11-20(32-24)14-28-25(31)12-22-16(2)30-23-7-5-4-6-21(22)23/h4-10,13,20,30H,11-12,14H2,1-3H3,(H,28,31)
InChIKeyZSNQXPCZZCYCPM-UHFFFAOYSA-N
XLogP4.21
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(2-methyl-1H-indol-3-yl)acetamide?
The IUPAC name of N-[[5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(2-methyl-1H-indol-3-yl)acetamide (CID 45166280) is N-[[5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(2-methyl-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[[5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(2-methyl-1H-indol-3-yl)acetamide?
The canonical SMILES for N-[[5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(2-methyl-1H-indol-3-yl)acetamide is Cc1cnc(C)c(-c2ccc3c(c2)CC(CNC(=O)Cc2c(C)[nH]c4ccccc24)O3)n1.
What is the InChIKey of N-[[5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(2-methyl-1H-indol-3-yl)acetamide?
The InChIKey is ZSNQXPCZZCYCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2/c1-15-13-27-17(3)26(29-15)18-8-9-24-19(10-18)11-20(32-24)14-28-25(31)12-22-16(2)30-23-7-5-4-6-21(22)23/h4-10,13,20,30H,11-12,14H2,1-3H3,(H,28,31).
What are the key properties of N-[[5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(2-methyl-1H-indol-3-yl)acetamide?
N-[[5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(2-methyl-1H-indol-3-yl)acetamide has a molecular weight of 426.52 g/mol, XLogP of 4.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(2-methyl-1H-indol-3-yl)acetamide is sourced from PubChem (CID 45166280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).