5-chloro-7-methoxy-1H-pyrazolo[4,5-d]pyrimidine

C6H5ClN4O — CID 154606690

IUPAC5-chloro-7-methoxy-1H-pyrazolo[4,5-d]pyrimidine
SMILESCOc1nc(Cl)nc2cn[nH]c12
InChIInChI=1S/C6H5ClN4O/c1-12-5-4-3(2-8-11-4)9-6(7)10-5/h2H,1H3,(H,8,11)
InChIKeyZOSIXAVSPABQPH-UHFFFAOYSA-N
MW184.59 g/mol
LogP1.01
Rot. Bonds1

About 5-chloro-7-methoxy-1H-pyrazolo[4,5-d]pyrimidine

5-chloro-7-methoxy-1H-pyrazolo[4,5-d]pyrimidine (PubChem CID 154606690) has the molecular formula C6H5ClN4O and a molecular weight of 184.59 g/mol. Its IUPAC name is 5-chloro-7-methoxy-1H-pyrazolo[4,5-d]pyrimidine.

Molecular Properties

Compound Name5-chloro-7-methoxy-1H-pyrazolo[4,5-d]pyrimidine
PubChem CID154606690
Molecular FormulaC6H5ClN4O
Molecular Weight184.59 g/mol
Exact Mass184.02
IUPAC Name5-chloro-7-methoxy-1H-pyrazolo[4,5-d]pyrimidine
SMILESCOc1nc(Cl)nc2cn[nH]c12
InChIInChI=1S/C6H5ClN4O/c1-12-5-4-3(2-8-11-4)9-6(7)10-5/h2H,1H3,(H,8,11)
InChIKeyZOSIXAVSPABQPH-UHFFFAOYSA-N
XLogP1.01
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.59
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-chloro-7-methoxy-1H-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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-methoxy-1H-pyrazolo[4,5-d]pyrimidine?
The IUPAC name of 5-chloro-7-methoxy-1H-pyrazolo[4,5-d]pyrimidine (CID 154606690) is 5-chloro-7-methoxy-1H-pyrazolo[4,5-d]pyrimidine.
What is the SMILES notation for 5-chloro-7-methoxy-1H-pyrazolo[4,5-d]pyrimidine?
The canonical SMILES for 5-chloro-7-methoxy-1H-pyrazolo[4,5-d]pyrimidine is COc1nc(Cl)nc2cn[nH]c12.
What is the InChIKey of 5-chloro-7-methoxy-1H-pyrazolo[4,5-d]pyrimidine?
The InChIKey is ZOSIXAVSPABQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN4O/c1-12-5-4-3(2-8-11-4)9-6(7)10-5/h2H,1H3,(H,8,11).
What are the key properties of 5-chloro-7-methoxy-1H-pyrazolo[4,5-d]pyrimidine?
5-chloro-7-methoxy-1H-pyrazolo[4,5-d]pyrimidine has a molecular weight of 184.59 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-methoxy-1H-pyrazolo[4,5-d]pyrimidine is sourced from PubChem (CID 154606690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).