2-[7-(2-methoxyphenyl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

C26H27N3O4 — CID 70660277

IUPAC2-[7-(2-methoxyphenyl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
SMILESCOc1ccccc1-c1c(C(OC(C)(C)C)C(=O)O)c(C)nc2cc(-c3ccccc3)nn12
InChIInChI=1S/C26H27N3O4/c1-16-22(24(25(30)31)33-26(2,3)4)23(18-13-9-10-14-20(18)32-5)29-21(27-16)15-19(28-29)17-11-7-6-8-12-17/h6-15,24H,1-5H3,(H,30,31)
InChIKeyIJSCVKVJIWWIGO-UHFFFAOYSA-N
MW445.52 g/mol
LogP5.32
Rot. Bonds6

About 2-[7-(2-methoxyphenyl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

2-[7-(2-methoxyphenyl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid (PubChem CID 70660277) has the molecular formula C26H27N3O4 and a molecular weight of 445.52 g/mol. Its IUPAC name is 2-[7-(2-methoxyphenyl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid.

Molecular Properties

Compound Name2-[7-(2-methoxyphenyl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
PubChem CID70660277
Molecular FormulaC26H27N3O4
Molecular Weight445.52 g/mol
Exact Mass445.20
IUPAC Name2-[7-(2-methoxyphenyl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
SMILESCOc1ccccc1-c1c(C(OC(C)(C)C)C(=O)O)c(C)nc2cc(-c3ccccc3)nn12
InChIInChI=1S/C26H27N3O4/c1-16-22(24(25(30)31)33-26(2,3)4)23(18-13-9-10-14-20(18)32-5)29-21(27-16)15-19(28-29)17-11-7-6-8-12-17/h6-15,24H,1-5H3,(H,30,31)
InChIKeyIJSCVKVJIWWIGO-UHFFFAOYSA-N
XLogP5.32
TPSA85.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.52
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[7-(2-methoxyphenyl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[7-(2-methoxyphenyl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid?
The IUPAC name of 2-[7-(2-methoxyphenyl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid (CID 70660277) is 2-[7-(2-methoxyphenyl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid.
What is the SMILES notation for 2-[7-(2-methoxyphenyl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid?
The canonical SMILES for 2-[7-(2-methoxyphenyl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid is COc1ccccc1-c1c(C(OC(C)(C)C)C(=O)O)c(C)nc2cc(-c3ccccc3)nn12.
What is the InChIKey of 2-[7-(2-methoxyphenyl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid?
The InChIKey is IJSCVKVJIWWIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O4/c1-16-22(24(25(30)31)33-26(2,3)4)23(18-13-9-10-14-20(18)32-5)29-21(27-16)15-19(28-29)17-11-7-6-8-12-17/h6-15,24H,1-5H3,(H,30,31).
What are the key properties of 2-[7-(2-methoxyphenyl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid?
2-[7-(2-methoxyphenyl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid has a molecular weight of 445.52 g/mol, XLogP of 5.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(2-methoxyphenyl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid is sourced from PubChem (CID 70660277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).