6-(2-cyclohexylethyl)-7-oxo-5-(4-phenylmethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

C28H29N3O4 — CID 15958219

IUPAC6-(2-cyclohexylethyl)-7-oxo-5-(4-phenylmethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1cc2nc(-c3ccc(OCc4ccccc4)cc3)c(CCC3CCCCC3)c(=O)n2[nH]1
InChIInChI=1S/C28H29N3O4/c32-27-23(16-11-19-7-3-1-4-8-19)26(29-25-17-24(28(33)34)30-31(25)27)21-12-14-22(15-13-21)35-18-20-9-5-2-6-10-20/h2,5-6,9-10,12-15,17,19,30H,1,3-4,7-8,11,16,18H2,(H,33,34)
InChIKeyZGVXMVXUMFBHAZ-UHFFFAOYSA-N
MW471.56 g/mol
LogP5.48
Rot. Bonds8

About 6-(2-cyclohexylethyl)-7-oxo-5-(4-phenylmethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

6-(2-cyclohexylethyl)-7-oxo-5-(4-phenylmethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (PubChem CID 15958219) has the molecular formula C28H29N3O4 and a molecular weight of 471.56 g/mol. Its IUPAC name is 6-(2-cyclohexylethyl)-7-oxo-5-(4-phenylmethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name6-(2-cyclohexylethyl)-7-oxo-5-(4-phenylmethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
PubChem CID15958219
Molecular FormulaC28H29N3O4
Molecular Weight471.56 g/mol
Exact Mass471.22
IUPAC Name6-(2-cyclohexylethyl)-7-oxo-5-(4-phenylmethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1cc2nc(-c3ccc(OCc4ccccc4)cc3)c(CCC3CCCCC3)c(=O)n2[nH]1
InChIInChI=1S/C28H29N3O4/c32-27-23(16-11-19-7-3-1-4-8-19)26(29-25-17-24(28(33)34)30-31(25)27)21-12-14-22(15-13-21)35-18-20-9-5-2-6-10-20/h2,5-6,9-10,12-15,17,19,30H,1,3-4,7-8,11,16,18H2,(H,33,34)
InChIKeyZGVXMVXUMFBHAZ-UHFFFAOYSA-N
XLogP5.48
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.56
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(2-cyclohexylethyl)-7-oxo-5-(4-phenylmethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic 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 6-(2-cyclohexylethyl)-7-oxo-5-(4-phenylmethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 6-(2-cyclohexylethyl)-7-oxo-5-(4-phenylmethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (CID 15958219) is 6-(2-cyclohexylethyl)-7-oxo-5-(4-phenylmethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 6-(2-cyclohexylethyl)-7-oxo-5-(4-phenylmethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 6-(2-cyclohexylethyl)-7-oxo-5-(4-phenylmethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid is O=C(O)c1cc2nc(-c3ccc(OCc4ccccc4)cc3)c(CCC3CCCCC3)c(=O)n2[nH]1.
What is the InChIKey of 6-(2-cyclohexylethyl)-7-oxo-5-(4-phenylmethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The InChIKey is ZGVXMVXUMFBHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O4/c32-27-23(16-11-19-7-3-1-4-8-19)26(29-25-17-24(28(33)34)30-31(25)27)21-12-14-22(15-13-21)35-18-20-9-5-2-6-10-20/h2,5-6,9-10,12-15,17,19,30H,1,3-4,7-8,11,16,18H2,(H,33,34).
What are the key properties of 6-(2-cyclohexylethyl)-7-oxo-5-(4-phenylmethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
6-(2-cyclohexylethyl)-7-oxo-5-(4-phenylmethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid has a molecular weight of 471.56 g/mol, XLogP of 5.48, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyclohexylethyl)-7-oxo-5-(4-phenylmethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 15958219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).