methyl 2-(5-chloro-7-methoxypyrazolo[4,5-d]pyrimidin-1-yl)propanoate

C10H11ClN4O3 — CID 152550552

IUPACmethyl 2-(5-chloro-7-methoxypyrazolo[4,5-d]pyrimidin-1-yl)propanoate
SMILESCOC(=O)C(C)n1ncc2nc(Cl)nc(OC)c21
InChIInChI=1S/C10H11ClN4O3/c1-5(9(16)18-3)15-7-6(4-12-15)13-10(11)14-8(7)17-2/h4-5H,1-3H3
InChIKeyYNJXOVGREIPBRV-UHFFFAOYSA-N
MW270.68 g/mol
LogP1.22
Rot. Bonds3

About methyl 2-(5-chloro-7-methoxypyrazolo[4,5-d]pyrimidin-1-yl)propanoate

methyl 2-(5-chloro-7-methoxypyrazolo[4,5-d]pyrimidin-1-yl)propanoate (PubChem CID 152550552) has the molecular formula C10H11ClN4O3 and a molecular weight of 270.68 g/mol. Its IUPAC name is methyl 2-(5-chloro-7-methoxypyrazolo[4,5-d]pyrimidin-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-(5-chloro-7-methoxypyrazolo[4,5-d]pyrimidin-1-yl)propanoate
PubChem CID152550552
Molecular FormulaC10H11ClN4O3
Molecular Weight270.68 g/mol
Exact Mass270.05
IUPAC Namemethyl 2-(5-chloro-7-methoxypyrazolo[4,5-d]pyrimidin-1-yl)propanoate
SMILESCOC(=O)C(C)n1ncc2nc(Cl)nc(OC)c21
InChIInChI=1S/C10H11ClN4O3/c1-5(9(16)18-3)15-7-6(4-12-15)13-10(11)14-8(7)17-2/h4-5H,1-3H3
InChIKeyYNJXOVGREIPBRV-UHFFFAOYSA-N
XLogP1.22
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.68
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-chloro-7-methoxypyrazolo[4,5-d]pyrimidin-1-yl)propanoate?
The IUPAC name of methyl 2-(5-chloro-7-methoxypyrazolo[4,5-d]pyrimidin-1-yl)propanoate (CID 152550552) is methyl 2-(5-chloro-7-methoxypyrazolo[4,5-d]pyrimidin-1-yl)propanoate.
What is the SMILES notation for methyl 2-(5-chloro-7-methoxypyrazolo[4,5-d]pyrimidin-1-yl)propanoate?
The canonical SMILES for methyl 2-(5-chloro-7-methoxypyrazolo[4,5-d]pyrimidin-1-yl)propanoate is COC(=O)C(C)n1ncc2nc(Cl)nc(OC)c21.
What is the InChIKey of methyl 2-(5-chloro-7-methoxypyrazolo[4,5-d]pyrimidin-1-yl)propanoate?
The InChIKey is YNJXOVGREIPBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O3/c1-5(9(16)18-3)15-7-6(4-12-15)13-10(11)14-8(7)17-2/h4-5H,1-3H3.
What are the key properties of methyl 2-(5-chloro-7-methoxypyrazolo[4,5-d]pyrimidin-1-yl)propanoate?
methyl 2-(5-chloro-7-methoxypyrazolo[4,5-d]pyrimidin-1-yl)propanoate has a molecular weight of 270.68 g/mol, XLogP of 1.22, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-chloro-7-methoxypyrazolo[4,5-d]pyrimidin-1-yl)propanoate is sourced from PubChem (CID 152550552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).