3-bromo-7-methoxy-1-(oxan-2-yl)pyrazolo[4,5-d]pyrimidine

C11H13BrN4O2 — CID 558926

IUPAC3-bromo-7-methoxy-1-(oxan-2-yl)pyrazolo[4,5-d]pyrimidine
SMILESCOc1ncnc2c(Br)nn(C3CCCCO3)c12
InChIInChI=1S/C11H13BrN4O2/c1-17-11-9-8(13-6-14-11)10(12)15-16(9)7-4-2-3-5-18-7/h6-7H,2-5H2,1H3
InChIKeyWBZFYPOBFDBAMZ-UHFFFAOYSA-N
MW313.16 g/mol
LogP2.30
Rot. Bonds2

About 3-bromo-7-methoxy-1-(oxan-2-yl)pyrazolo[4,5-d]pyrimidine

3-bromo-7-methoxy-1-(oxan-2-yl)pyrazolo[4,5-d]pyrimidine (PubChem CID 558926) has the molecular formula C11H13BrN4O2 and a molecular weight of 313.16 g/mol. Its IUPAC name is 3-bromo-7-methoxy-1-(oxan-2-yl)pyrazolo[4,5-d]pyrimidine.

Molecular Properties

Compound Name3-bromo-7-methoxy-1-(oxan-2-yl)pyrazolo[4,5-d]pyrimidine
PubChem CID558926
Molecular FormulaC11H13BrN4O2
Molecular Weight313.16 g/mol
Exact Mass312.02
IUPAC Name3-bromo-7-methoxy-1-(oxan-2-yl)pyrazolo[4,5-d]pyrimidine
SMILESCOc1ncnc2c(Br)nn(C3CCCCO3)c12
InChIInChI=1S/C11H13BrN4O2/c1-17-11-9-8(13-6-14-11)10(12)15-16(9)7-4-2-3-5-18-7/h6-7H,2-5H2,1H3
InChIKeyWBZFYPOBFDBAMZ-UHFFFAOYSA-N
XLogP2.30
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.16
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-bromo-7-methoxy-1-(oxan-2-yl)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

3-bromo-4-methoxy-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine
CID 121228857
3-bromo-6-chloro-4-methoxy-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidine
CID 154934514
4-(hydroxymethyl)-1-[[7-methoxy-2-(oxan-2-yl)pyrazolo[4,3-d]pyrimidin-3-yl]methyl]pyrrolidin-3-ol
CID 72825525
3,5-dibromo-1-(oxan-2-yl)pyrazolo[4,3-b]pyridine
CID 121228843
methyl 3-bromo-1-(oxan-2-yl)indazole-4-carboxylate
CID 72698240
3-bromo-7-fluoro-1-(oxan-2-yl)indazole
CID 151478980
3-diethoxyphosphoryl-N-[[7-methoxy-2-(oxan-2-yl)pyrazolo[4,3-d]pyrimidin-3-yl]methyl]propan-1-amine
CID 89155884
7-bromo-3-iodo-1-(oxan-2-yl)pyrazolo[4,3-b]pyridine
CID 121228987
3-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine
CID 91663938
4-chloro-5-cyclopentyl-6-methoxy-2-(oxan-2-yl)pyridazin-3-one
CID 68988720
3-bromo-6-methyl-1-(oxan-2-yl)indazole
CID 175654003
6-bromo-4,5-dichloro-2-(oxan-2-yl)pyridazin-3-one
CID 169209858

Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-methoxy-1-(oxan-2-yl)pyrazolo[4,5-d]pyrimidine?
The IUPAC name of 3-bromo-7-methoxy-1-(oxan-2-yl)pyrazolo[4,5-d]pyrimidine (CID 558926) is 3-bromo-7-methoxy-1-(oxan-2-yl)pyrazolo[4,5-d]pyrimidine.
What is the SMILES notation for 3-bromo-7-methoxy-1-(oxan-2-yl)pyrazolo[4,5-d]pyrimidine?
The canonical SMILES for 3-bromo-7-methoxy-1-(oxan-2-yl)pyrazolo[4,5-d]pyrimidine is COc1ncnc2c(Br)nn(C3CCCCO3)c12.
What is the InChIKey of 3-bromo-7-methoxy-1-(oxan-2-yl)pyrazolo[4,5-d]pyrimidine?
The InChIKey is WBZFYPOBFDBAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4O2/c1-17-11-9-8(13-6-14-11)10(12)15-16(9)7-4-2-3-5-18-7/h6-7H,2-5H2,1H3.
What are the key properties of 3-bromo-7-methoxy-1-(oxan-2-yl)pyrazolo[4,5-d]pyrimidine?
3-bromo-7-methoxy-1-(oxan-2-yl)pyrazolo[4,5-d]pyrimidine has a molecular weight of 313.16 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7-methoxy-1-(oxan-2-yl)pyrazolo[4,5-d]pyrimidine is sourced from PubChem (CID 558926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).