N-[[7-(3,6-dimethylpyrazin-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-pyrrolidin-1-ylacetamide

C21H25FN4O2 — CID 45165782

IUPACN-[[7-(3,6-dimethylpyrazin-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-pyrrolidin-1-ylacetamide
SMILESCc1cnc(C)c(-c2cc(F)cc3c2OC(CNC(=O)CN2CCCC2)C3)n1
InChIInChI=1S/C21H25FN4O2/c1-13-10-23-14(2)20(25-13)18-9-16(22)7-15-8-17(28-21(15)18)11-24-19(27)12-26-5-3-4-6-26/h7,9-10,17H,3-6,8,11-12H2,1-2H3,(H,24,27)
InChIKeyZUTUMRCWGXKRMN-UHFFFAOYSA-N
MW384.46 g/mol
LogP2.42
Rot. Bonds5

About N-[[7-(3,6-dimethylpyrazin-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-pyrrolidin-1-ylacetamide

N-[[7-(3,6-dimethylpyrazin-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-pyrrolidin-1-ylacetamide (PubChem CID 45165782) has the molecular formula C21H25FN4O2 and a molecular weight of 384.46 g/mol. Its IUPAC name is N-[[7-(3,6-dimethylpyrazin-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-[[7-(3,6-dimethylpyrazin-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-pyrrolidin-1-ylacetamide
PubChem CID45165782
Molecular FormulaC21H25FN4O2
Molecular Weight384.46 g/mol
Exact Mass384.20
IUPAC NameN-[[7-(3,6-dimethylpyrazin-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-pyrrolidin-1-ylacetamide
SMILESCc1cnc(C)c(-c2cc(F)cc3c2OC(CNC(=O)CN2CCCC2)C3)n1
InChIInChI=1S/C21H25FN4O2/c1-13-10-23-14(2)20(25-13)18-9-16(22)7-15-8-17(28-21(15)18)11-24-19(27)12-26-5-3-4-6-26/h7,9-10,17H,3-6,8,11-12H2,1-2H3,(H,24,27)
InChIKeyZUTUMRCWGXKRMN-UHFFFAOYSA-N
XLogP2.42
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[7-(3,6-dimethylpyrazin-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-[[7-(3,6-dimethylpyrazin-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-pyrrolidin-1-ylacetamide (CID 45165782) is N-[[7-(3,6-dimethylpyrazin-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-[[7-(3,6-dimethylpyrazin-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-[[7-(3,6-dimethylpyrazin-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-pyrrolidin-1-ylacetamide is Cc1cnc(C)c(-c2cc(F)cc3c2OC(CNC(=O)CN2CCCC2)C3)n1.
What is the InChIKey of N-[[7-(3,6-dimethylpyrazin-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-pyrrolidin-1-ylacetamide?
The InChIKey is ZUTUMRCWGXKRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O2/c1-13-10-23-14(2)20(25-13)18-9-16(22)7-15-8-17(28-21(15)18)11-24-19(27)12-26-5-3-4-6-26/h7,9-10,17H,3-6,8,11-12H2,1-2H3,(H,24,27).
What are the key properties of N-[[7-(3,6-dimethylpyrazin-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-pyrrolidin-1-ylacetamide?
N-[[7-(3,6-dimethylpyrazin-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-pyrrolidin-1-ylacetamide has a molecular weight of 384.46 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-(3,6-dimethylpyrazin-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 45165782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).