2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]acetamide

C23H28N6O4 — CID 27600867

IUPAC2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]acetamide
SMILESCC1(C)Cc2cccc(OCC(=O)NCCn3ncc4c(N5CCOCC5)ncnc43)c2O1
InChIInChI=1S/C23H28N6O4/c1-23(2)12-16-4-3-5-18(20(16)33-23)32-14-19(30)24-6-7-29-22-17(13-27-29)21(25-15-26-22)28-8-10-31-11-9-28/h3-5,13,15H,6-12,14H2,1-2H3,(H,24,30)
InChIKeyCABOJFNFWISKDO-UHFFFAOYSA-N
MW452.52 g/mol
LogP1.57
Rot. Bonds7

About 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]acetamide

2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]acetamide (PubChem CID 27600867) has the molecular formula C23H28N6O4 and a molecular weight of 452.52 g/mol. Its IUPAC name is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]acetamide
PubChem CID27600867
Molecular FormulaC23H28N6O4
Molecular Weight452.52 g/mol
Exact Mass452.22
IUPAC Name2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]acetamide
SMILESCC1(C)Cc2cccc(OCC(=O)NCCn3ncc4c(N5CCOCC5)ncnc43)c2O1
InChIInChI=1S/C23H28N6O4/c1-23(2)12-16-4-3-5-18(20(16)33-23)32-14-19(30)24-6-7-29-22-17(13-27-29)21(25-15-26-22)28-8-10-31-11-9-28/h3-5,13,15H,6-12,14H2,1-2H3,(H,24,30)
InChIKeyCABOJFNFWISKDO-UHFFFAOYSA-N
XLogP1.57
TPSA103.63 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.52
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]acetamide?
The IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]acetamide (CID 27600867) is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]acetamide?
The canonical SMILES for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]acetamide is CC1(C)Cc2cccc(OCC(=O)NCCn3ncc4c(N5CCOCC5)ncnc43)c2O1.
What is the InChIKey of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]acetamide?
The InChIKey is CABOJFNFWISKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O4/c1-23(2)12-16-4-3-5-18(20(16)33-23)32-14-19(30)24-6-7-29-22-17(13-27-29)21(25-15-26-22)28-8-10-31-11-9-28/h3-5,13,15H,6-12,14H2,1-2H3,(H,24,30).
What are the key properties of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]acetamide?
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]acetamide has a molecular weight of 452.52 g/mol, XLogP of 1.57, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]acetamide is sourced from PubChem (CID 27600867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).