2-[5-methyl-7-(4-methylphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide

C26H28N4O2 — CID 155568982

IUPAC2-[5-methyl-7-(4-methylphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCc1ccc(-c2c(C(OC(C)(C)C)C(N)=O)c(C)nc3cc(-c4ccccc4)nn23)cc1
InChIInChI=1S/C26H28N4O2/c1-16-11-13-19(14-12-16)23-22(24(25(27)31)32-26(3,4)5)17(2)28-21-15-20(29-30(21)23)18-9-7-6-8-10-18/h6-15,24H,1-5H3,(H2,27,31)
InChIKeyLIGPPIMFGIWCSS-UHFFFAOYSA-N
MW428.54 g/mol
LogP5.02
Rot. Bonds5

About 2-[5-methyl-7-(4-methylphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide

2-[5-methyl-7-(4-methylphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 155568982) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is 2-[5-methyl-7-(4-methylphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

Compound Name2-[5-methyl-7-(4-methylphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide
PubChem CID155568982
Molecular FormulaC26H28N4O2
Molecular Weight428.54 g/mol
Exact Mass428.22
IUPAC Name2-[5-methyl-7-(4-methylphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCc1ccc(-c2c(C(OC(C)(C)C)C(N)=O)c(C)nc3cc(-c4ccccc4)nn23)cc1
InChIInChI=1S/C26H28N4O2/c1-16-11-13-19(14-12-16)23-22(24(25(27)31)32-26(3,4)5)17(2)28-21-15-20(29-30(21)23)18-9-7-6-8-10-18/h6-15,24H,1-5H3,(H2,27,31)
InChIKeyLIGPPIMFGIWCSS-UHFFFAOYSA-N
XLogP5.02
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.54
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-7-(4-methylphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The IUPAC name of 2-[5-methyl-7-(4-methylphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide (CID 155568982) is 2-[5-methyl-7-(4-methylphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide.
What is the SMILES notation for 2-[5-methyl-7-(4-methylphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The canonical SMILES for 2-[5-methyl-7-(4-methylphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide is Cc1ccc(-c2c(C(OC(C)(C)C)C(N)=O)c(C)nc3cc(-c4ccccc4)nn23)cc1.
What is the InChIKey of 2-[5-methyl-7-(4-methylphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The InChIKey is LIGPPIMFGIWCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2/c1-16-11-13-19(14-12-16)23-22(24(25(27)31)32-26(3,4)5)17(2)28-21-15-20(29-30(21)23)18-9-7-6-8-10-18/h6-15,24H,1-5H3,(H2,27,31).
What are the key properties of 2-[5-methyl-7-(4-methylphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
2-[5-methyl-7-(4-methylphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide has a molecular weight of 428.54 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-7-(4-methylphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 155568982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).