2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide

C20H22N4O3 — CID 31520101

IUPAC2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide
SMILESCc1nn(C)c2ncc(NC(=O)COc3cccc4c3OC(C)(C)C4)cc12
InChIInChI=1S/C20H22N4O3/c1-12-15-8-14(10-21-19(15)24(4)23-12)22-17(25)11-26-16-7-5-6-13-9-20(2,3)27-18(13)16/h5-8,10H,9,11H2,1-4H3,(H,22,25)
InChIKeyAUEGXXVADWWLPU-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.01
Rot. Bonds4

About 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide

2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide (PubChem CID 31520101) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide.

Molecular Properties

Compound Name2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide
PubChem CID31520101
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide
SMILESCc1nn(C)c2ncc(NC(=O)COc3cccc4c3OC(C)(C)C4)cc12
InChIInChI=1S/C20H22N4O3/c1-12-15-8-14(10-21-19(15)24(4)23-12)22-17(25)11-26-16-7-5-6-13-9-20(2,3)27-18(13)16/h5-8,10H,9,11H2,1-4H3,(H,22,25)
InChIKeyAUEGXXVADWWLPU-UHFFFAOYSA-N
XLogP3.01
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methylphenyl)acetamide
CID 7899894
[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate
CID 7702216
N-(4-bromophenyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
CID 7946386
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(2-methylphenyl)acetamide
CID 18074370
dimethyl 5-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]benzene-1,3-dicarboxylate
CID 7959511
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-ethylphenyl)acetamide
CID 26697232
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
CID 121036783
N-(2,3-dihydro-1H-inden-5-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
CID 16550540
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide
CID 90564912
2-(1-bromonaphthalen-2-yl)oxy-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide
CID 37032202
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(4-methoxyphenoxy)acetamide
CID 18151329
2-(4-bromophenoxy)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide
CID 51334468

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide?
The IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide (CID 31520101) is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide.
What is the SMILES notation for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide?
The canonical SMILES for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide is Cc1nn(C)c2ncc(NC(=O)COc3cccc4c3OC(C)(C)C4)cc12.
What is the InChIKey of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide?
The InChIKey is AUEGXXVADWWLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-12-15-8-14(10-21-19(15)24(4)23-12)22-17(25)11-26-16-7-5-6-13-9-20(2,3)27-18(13)16/h5-8,10H,9,11H2,1-4H3,(H,22,25).
What are the key properties of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide?
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide has a molecular weight of 366.42 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide is sourced from PubChem (CID 31520101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).