5-chloro-7-(2-methoxyethoxy)-1-[(E)-4-(2-methoxyethoxy)but-2-enyl]pyrazolo[4,5-d]pyrimidine

C15H21ClN4O4 — CID 154606637

IUPAC5-chloro-7-(2-methoxyethoxy)-1-[(E)-4-(2-methoxyethoxy)but-2-enyl]pyrazolo[4,5-d]pyrimidine
SMILESCOCCOC/C=C/Cn1ncc2nc(Cl)nc(OCCOC)c21
InChIInChI=1S/C15H21ClN4O4/c1-21-7-9-23-6-4-3-5-20-13-12(11-17-20)18-15(16)19-14(13)24-10-8-22-2/h3-4,11H,5-10H2,1-2H3/b4-3+
InChIKeySBWRQAZXRYDAPU-ONEGZZNKSA-N
MW356.81 g/mol
LogP1.72
Rot. Bonds11

About 5-chloro-7-(2-methoxyethoxy)-1-[(E)-4-(2-methoxyethoxy)but-2-enyl]pyrazolo[4,5-d]pyrimidine

5-chloro-7-(2-methoxyethoxy)-1-[(E)-4-(2-methoxyethoxy)but-2-enyl]pyrazolo[4,5-d]pyrimidine (PubChem CID 154606637) has the molecular formula C15H21ClN4O4 and a molecular weight of 356.81 g/mol. Its IUPAC name is 5-chloro-7-(2-methoxyethoxy)-1-[(E)-4-(2-methoxyethoxy)but-2-enyl]pyrazolo[4,5-d]pyrimidine.

Molecular Properties

Compound Name5-chloro-7-(2-methoxyethoxy)-1-[(E)-4-(2-methoxyethoxy)but-2-enyl]pyrazolo[4,5-d]pyrimidine
PubChem CID154606637
Molecular FormulaC15H21ClN4O4
Molecular Weight356.81 g/mol
Exact Mass356.13
IUPAC Name5-chloro-7-(2-methoxyethoxy)-1-[(E)-4-(2-methoxyethoxy)but-2-enyl]pyrazolo[4,5-d]pyrimidine
SMILESCOCCOC/C=C/Cn1ncc2nc(Cl)nc(OCCOC)c21
InChIInChI=1S/C15H21ClN4O4/c1-21-7-9-23-6-4-3-5-20-13-12(11-17-20)18-15(16)19-14(13)24-10-8-22-2/h3-4,11H,5-10H2,1-2H3/b4-3+
InChIKeySBWRQAZXRYDAPU-ONEGZZNKSA-N
XLogP1.72
TPSA80.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 5-chloro-7-(2-methoxyethoxy)-1-[(E)-4-(2-methoxyethoxy)but-2-enyl]pyrazolo[4,5-d]pyrimidine 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

1-[(E)-4-bromobut-2-enyl]-5-chloro-7-methoxypyrazolo[4,5-d]pyrimidine
CID 154606656
2-chloro-6-[2-(2-methoxyethoxy)ethoxy]-7H-purine
CID 104787050
5,7-dichloro-1-propylpyrazolo[4,5-d]pyrimidine
CID 91620475
2-chloro-4-[2-(2-methoxyethoxy)ethoxy]-6-methyl-5-nitropyrimidine
CID 114044293
2,3-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]thieno[3,4-b]pyrazine
CID 25136770
4-(2-methoxyethoxy)but-2-en-1-amine
CID 77110475
2-chloro-4-[2-(2-methoxyethoxy)ethoxy]pyrimidine
CID 104561376
2-chloro-4-[2-(2-methoxyethoxy)ethoxy]-6-pyrazol-1-yl-1,3,5-triazine
CID 104561391
5-bromo-2-chloro-4-(2-methoxyethoxy)-7H-pyrrolo[2,3-d]pyrimidine
CID 155476000
2-chloro-4-[2-(2-chloro-5-methylpyrimidin-4-yl)oxyethoxy]-5-methylpyrimidine
CID 171097396
2,5-dichloro-4-(2-ethoxyethoxy)pyrimidine;ethane
CID 153387391
2-[(5-chloropyrazolo[4,3-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane
CID 140850911

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-(2-methoxyethoxy)-1-[(E)-4-(2-methoxyethoxy)but-2-enyl]pyrazolo[4,5-d]pyrimidine?
The IUPAC name of 5-chloro-7-(2-methoxyethoxy)-1-[(E)-4-(2-methoxyethoxy)but-2-enyl]pyrazolo[4,5-d]pyrimidine (CID 154606637) is 5-chloro-7-(2-methoxyethoxy)-1-[(E)-4-(2-methoxyethoxy)but-2-enyl]pyrazolo[4,5-d]pyrimidine.
What is the SMILES notation for 5-chloro-7-(2-methoxyethoxy)-1-[(E)-4-(2-methoxyethoxy)but-2-enyl]pyrazolo[4,5-d]pyrimidine?
The canonical SMILES for 5-chloro-7-(2-methoxyethoxy)-1-[(E)-4-(2-methoxyethoxy)but-2-enyl]pyrazolo[4,5-d]pyrimidine is COCCOC/C=C/Cn1ncc2nc(Cl)nc(OCCOC)c21.
What is the InChIKey of 5-chloro-7-(2-methoxyethoxy)-1-[(E)-4-(2-methoxyethoxy)but-2-enyl]pyrazolo[4,5-d]pyrimidine?
The InChIKey is SBWRQAZXRYDAPU-ONEGZZNKSA-N. The full InChI is InChI=1S/C15H21ClN4O4/c1-21-7-9-23-6-4-3-5-20-13-12(11-17-20)18-15(16)19-14(13)24-10-8-22-2/h3-4,11H,5-10H2,1-2H3/b4-3+.
What are the key properties of 5-chloro-7-(2-methoxyethoxy)-1-[(E)-4-(2-methoxyethoxy)but-2-enyl]pyrazolo[4,5-d]pyrimidine?
5-chloro-7-(2-methoxyethoxy)-1-[(E)-4-(2-methoxyethoxy)but-2-enyl]pyrazolo[4,5-d]pyrimidine has a molecular weight of 356.81 g/mol, XLogP of 1.72, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-(2-methoxyethoxy)-1-[(E)-4-(2-methoxyethoxy)but-2-enyl]pyrazolo[4,5-d]pyrimidine is sourced from PubChem (CID 154606637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).