methyl 2-(3-bromo-5-methyl-4-oxopyrazolo[5,4-d]pyrimidin-1-yl)acetate

C9H9BrN4O3 — CID 139391161

IUPACmethyl 2-(3-bromo-5-methyl-4-oxopyrazolo[5,4-d]pyrimidin-1-yl)acetate
SMILESCOC(=O)Cn1nc(Br)c2c(=O)n(C)cnc21
InChIInChI=1S/C9H9BrN4O3/c1-13-4-11-8-6(9(13)16)7(10)12-14(8)3-5(15)17-2/h4H,3H2,1-2H3
InChIKeyOOVBPJNWWXUZNZ-UHFFFAOYSA-N
MW301.10 g/mol
LogP0.07
Rot. Bonds2

About methyl 2-(3-bromo-5-methyl-4-oxopyrazolo[5,4-d]pyrimidin-1-yl)acetate

methyl 2-(3-bromo-5-methyl-4-oxopyrazolo[5,4-d]pyrimidin-1-yl)acetate (PubChem CID 139391161) has the molecular formula C9H9BrN4O3 and a molecular weight of 301.10 g/mol. Its IUPAC name is methyl 2-(3-bromo-5-methyl-4-oxopyrazolo[5,4-d]pyrimidin-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(3-bromo-5-methyl-4-oxopyrazolo[5,4-d]pyrimidin-1-yl)acetate
PubChem CID139391161
Molecular FormulaC9H9BrN4O3
Molecular Weight301.10 g/mol
Exact Mass299.99
IUPAC Namemethyl 2-(3-bromo-5-methyl-4-oxopyrazolo[5,4-d]pyrimidin-1-yl)acetate
SMILESCOC(=O)Cn1nc(Br)c2c(=O)n(C)cnc21
InChIInChI=1S/C9H9BrN4O3/c1-13-4-11-8-6(9(13)16)7(10)12-14(8)3-5(15)17-2/h4H,3H2,1-2H3
InChIKeyOOVBPJNWWXUZNZ-UHFFFAOYSA-N
XLogP0.07
TPSA79.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.10
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 2-(3-bromo-5-methyl-4-oxopyrazolo[5,4-d]pyrimidin-1-yl)acetate 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-5-ethyl-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 52862909
2-{3-bromo-1-methyl-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-5-yl}acetic acid
CID 50989010
2-(3-bromo-1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-ethyl-N-(3,3,3-trifluoropropyl)acetamide
CID 56425398
2-(3-bromo-1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-butyl-N-(2,2,2-trifluoroethyl)acetamide
CID 60224074
3-Bromo-1-methyl-5-(3,3,3-trifluoropropyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 60238266
Propyl 2-[(5-amino-3-bromo-1-methylpyrazole-4-carbonyl)amino]acetate
CID 53541076
Tert-butyl 3-bromo-5-(2-ethoxy-2-oxoethyl)-4-oxopyrazolo[5,4-d]pyrimidine-1-carboxylate
CID 129219574
2-(3-Bromo-5-methyl-4-oxopyrazolo[5,4-d]pyrimidin-1-yl)acetic acid
CID 139391067
ethyl 2-(3-bromo-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-5-yl)acetate
CID 154954798
2-(3-bromo-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)acetic acid
CID 155222438
Methyl 2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetate
CID 43405375
Butyl 2-[(5-amino-3-bromo-1-methylpyrazole-4-carbonyl)amino]acetate
CID 51136164

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-bromo-5-methyl-4-oxopyrazolo[5,4-d]pyrimidin-1-yl)acetate?
The IUPAC name of methyl 2-(3-bromo-5-methyl-4-oxopyrazolo[5,4-d]pyrimidin-1-yl)acetate (CID 139391161) is methyl 2-(3-bromo-5-methyl-4-oxopyrazolo[5,4-d]pyrimidin-1-yl)acetate.
What is the SMILES notation for methyl 2-(3-bromo-5-methyl-4-oxopyrazolo[5,4-d]pyrimidin-1-yl)acetate?
The canonical SMILES for methyl 2-(3-bromo-5-methyl-4-oxopyrazolo[5,4-d]pyrimidin-1-yl)acetate is COC(=O)Cn1nc(Br)c2c(=O)n(C)cnc21.
What is the InChIKey of methyl 2-(3-bromo-5-methyl-4-oxopyrazolo[5,4-d]pyrimidin-1-yl)acetate?
The InChIKey is OOVBPJNWWXUZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN4O3/c1-13-4-11-8-6(9(13)16)7(10)12-14(8)3-5(15)17-2/h4H,3H2,1-2H3.
What are the key properties of methyl 2-(3-bromo-5-methyl-4-oxopyrazolo[5,4-d]pyrimidin-1-yl)acetate?
methyl 2-(3-bromo-5-methyl-4-oxopyrazolo[5,4-d]pyrimidin-1-yl)acetate has a molecular weight of 301.10 g/mol, XLogP of 0.07, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-bromo-5-methyl-4-oxopyrazolo[5,4-d]pyrimidin-1-yl)acetate is sourced from PubChem (CID 139391161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).