2-(4-ethoxyphenoxy)-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide

C21H19N5O4 — CID 18586679

IUPAC2-(4-ethoxyphenoxy)-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide
SMILESCCOc1ccc(OCC(=O)Nn2cnc3c(cnn3-c3ccccc3)c2=O)cc1
InChIInChI=1S/C21H19N5O4/c1-2-29-16-8-10-17(11-9-16)30-13-19(27)24-25-14-22-20-18(21(25)28)12-23-26(20)15-6-4-3-5-7-15/h3-12,14H,2,13H2,1H3,(H,24,27)
InChIKeyKRMWWHCKZMTVBF-UHFFFAOYSA-N
MW405.41 g/mol
LogP2.13
Rot. Bonds7

About 2-(4-ethoxyphenoxy)-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide

2-(4-ethoxyphenoxy)-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide (PubChem CID 18586679) has the molecular formula C21H19N5O4 and a molecular weight of 405.41 g/mol. Its IUPAC name is 2-(4-ethoxyphenoxy)-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-ethoxyphenoxy)-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide
PubChem CID18586679
Molecular FormulaC21H19N5O4
Molecular Weight405.41 g/mol
Exact Mass405.14
IUPAC Name2-(4-ethoxyphenoxy)-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide
SMILESCCOc1ccc(OCC(=O)Nn2cnc3c(cnn3-c3ccccc3)c2=O)cc1
InChIInChI=1S/C21H19N5O4/c1-2-29-16-8-10-17(11-9-16)30-13-19(27)24-25-14-22-20-18(21(25)28)12-23-26(20)15-6-4-3-5-7-15/h3-12,14H,2,13H2,1H3,(H,24,27)
InChIKeyKRMWWHCKZMTVBF-UHFFFAOYSA-N
XLogP2.13
TPSA100.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.41
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-(4-ethoxyphenoxy)-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(2-fluorophenoxy)-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 16832691
N-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide
CID 18586689
N-[1-(3,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-2-ethoxyacetamide
CID 18586745
4-fluoro-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)benzamide
CID 16804090
N-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]benzamide
CID 16811190
N-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 42525032
N-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-2-(4-phenylphenyl)acetamide
CID 16811184
5-bromo-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)furan-2-carboxamide
CID 16804132
N-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-2-(2-methylphenoxy)acetamide
CID 18586628
2-chloro-6-fluoro-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)benzamide
CID 16804100
N-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-2-(3-methylphenyl)acetamide
CID 16811181
N-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]naphthalene-1-carboxamide
CID 16811207

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenoxy)-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
The IUPAC name of 2-(4-ethoxyphenoxy)-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide (CID 18586679) is 2-(4-ethoxyphenoxy)-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide.
What is the SMILES notation for 2-(4-ethoxyphenoxy)-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
The canonical SMILES for 2-(4-ethoxyphenoxy)-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide is CCOc1ccc(OCC(=O)Nn2cnc3c(cnn3-c3ccccc3)c2=O)cc1.
What is the InChIKey of 2-(4-ethoxyphenoxy)-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
The InChIKey is KRMWWHCKZMTVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O4/c1-2-29-16-8-10-17(11-9-16)30-13-19(27)24-25-14-22-20-18(21(25)28)12-23-26(20)15-6-4-3-5-7-15/h3-12,14H,2,13H2,1H3,(H,24,27).
What are the key properties of 2-(4-ethoxyphenoxy)-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
2-(4-ethoxyphenoxy)-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide has a molecular weight of 405.41 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenoxy)-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide is sourced from PubChem (CID 18586679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).