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

C22H24N4O3 — CID 71797524

IUPAC2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]acetamide
SMILESCn1nc(CNC(=O)COc2cccc3c2OC(C)(C)C3)cc1-c1ccncc1
InChIInChI=1S/C22H24N4O3/c1-22(2)12-16-5-4-6-19(21(16)29-22)28-14-20(27)24-13-17-11-18(26(3)25-17)15-7-9-23-10-8-15/h4-11H,12-14H2,1-3H3,(H,24,27)
InChIKeyDOZYERWMEVJDCD-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.89
Rot. Bonds6

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

2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]acetamide (PubChem CID 71797524) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]acetamide
PubChem CID71797524
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]acetamide
SMILESCn1nc(CNC(=O)COc2cccc3c2OC(C)(C)C3)cc1-c1ccncc1
InChIInChI=1S/C22H24N4O3/c1-22(2)12-16-5-4-6-19(21(16)29-22)28-14-20(27)24-13-17-11-18(26(3)25-17)15-7-9-23-10-8-15/h4-11H,12-14H2,1-3H3,(H,24,27)
InChIKeyDOZYERWMEVJDCD-UHFFFAOYSA-N
XLogP2.89
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]acetamide?
The IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]acetamide (CID 71797524) is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]acetamide.
What is the SMILES notation for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]acetamide?
The canonical SMILES for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]acetamide is Cn1nc(CNC(=O)COc2cccc3c2OC(C)(C)C3)cc1-c1ccncc1.
What is the InChIKey of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]acetamide?
The InChIKey is DOZYERWMEVJDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-22(2)12-16-5-4-6-19(21(16)29-22)28-14-20(27)24-13-17-11-18(26(3)25-17)15-7-9-23-10-8-15/h4-11H,12-14H2,1-3H3,(H,24,27).
What are the key properties of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]acetamide?
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]acetamide has a molecular weight of 392.46 g/mol, XLogP of 2.89, 6 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-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]acetamide is sourced from PubChem (CID 71797524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).