N-[[(2R)-7-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(3-methylpyrazol-1-yl)acetamide

C20H21N5O3 — CID 42341452

IUPACN-[[(2R)-7-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(3-methylpyrazol-1-yl)acetamide
SMILESCOc1ccc(-c2cccc3c2O[C@@H](CNC(=O)Cn2ccc(C)n2)C3)nn1
InChIInChI=1S/C20H21N5O3/c1-13-8-9-25(24-13)12-18(26)21-11-15-10-14-4-3-5-16(20(14)28-15)17-6-7-19(27-2)23-22-17/h3-9,15H,10-12H2,1-2H3,(H,21,26)/t15-/m1/s1
InChIKeyVXNLENLGUKZYKF-OAHLLOKOSA-N
MW379.42 g/mol
LogP1.78
Rot. Bonds6

About N-[[(2R)-7-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(3-methylpyrazol-1-yl)acetamide

N-[[(2R)-7-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(3-methylpyrazol-1-yl)acetamide (PubChem CID 42341452) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is N-[[(2R)-7-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(3-methylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[[(2R)-7-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(3-methylpyrazol-1-yl)acetamide
PubChem CID42341452
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC NameN-[[(2R)-7-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(3-methylpyrazol-1-yl)acetamide
SMILESCOc1ccc(-c2cccc3c2O[C@@H](CNC(=O)Cn2ccc(C)n2)C3)nn1
InChIInChI=1S/C20H21N5O3/c1-13-8-9-25(24-13)12-18(26)21-11-15-10-14-4-3-5-16(20(14)28-15)17-6-7-19(27-2)23-22-17/h3-9,15H,10-12H2,1-2H3,(H,21,26)/t15-/m1/s1
InChIKeyVXNLENLGUKZYKF-OAHLLOKOSA-N
XLogP1.78
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(3-methylpyrazol-1-yl)-N-[[(2R)-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide
CID 42165932
3-(3-methylpyrazol-1-yl)-N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]propanamide
CID 45187464
N-[[(2S)-7-fluoro-5-(3-fluoro-4-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(3-methylpyrazol-1-yl)acetamide
CID 42424029
2-cyclohexyl-N-[[(2S)-7-(6-methoxypyridazin-3-yl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
CID 42370379
N-[[5-fluoro-7-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 45180127
2-(3-chlorophenyl)-N-[[5-fluoro-7-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
CID 45176718
methyl 2-[(2R)-5-methyl-2-[[3-(3-methylpyrazol-1-yl)propanoylamino]methyl]-2,3-dihydro-1-benzofuran-7-yl]benzoate
CID 26356547
3-(3,5-dimethylpyrazol-1-yl)-N-[[(2S)-5-fluoro-7-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide
CID 42168889
3-(3,4-dimethoxyphenyl)-N-[[(2R)-7-(4,6-dimethylpyrimidin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide
CID 42213797
N-[[(2R)-7-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(2-methoxyphenoxy)acetamide
CID 42247953
N-[[(2S)-7-(6-methoxypyridazin-3-yl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 42321882
N-[(7-chloro-5-thiophen-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-(3-methylpyrazol-1-yl)acetamide
CID 45242116

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-7-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(3-methylpyrazol-1-yl)acetamide?
The IUPAC name of N-[[(2R)-7-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(3-methylpyrazol-1-yl)acetamide (CID 42341452) is N-[[(2R)-7-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(3-methylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-[[(2R)-7-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(3-methylpyrazol-1-yl)acetamide?
The canonical SMILES for N-[[(2R)-7-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(3-methylpyrazol-1-yl)acetamide is COc1ccc(-c2cccc3c2O[C@@H](CNC(=O)Cn2ccc(C)n2)C3)nn1.
What is the InChIKey of N-[[(2R)-7-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(3-methylpyrazol-1-yl)acetamide?
The InChIKey is VXNLENLGUKZYKF-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-13-8-9-25(24-13)12-18(26)21-11-15-10-14-4-3-5-16(20(14)28-15)17-6-7-19(27-2)23-22-17/h3-9,15H,10-12H2,1-2H3,(H,21,26)/t15-/m1/s1.
What are the key properties of N-[[(2R)-7-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(3-methylpyrazol-1-yl)acetamide?
N-[[(2R)-7-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(3-methylpyrazol-1-yl)acetamide has a molecular weight of 379.42 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-7-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(3-methylpyrazol-1-yl)acetamide is sourced from PubChem (CID 42341452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).