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

C9H10N4O3 — CID 43405375

IUPACmethyl 2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetate
SMILESCOC(=O)Cn1cnc2c(cnn2C)c1=O
InChIInChI=1S/C9H10N4O3/c1-12-8-6(3-11-12)9(15)13(5-10-8)4-7(14)16-2/h3,5H,4H2,1-2H3
InChIKeyWDMSMVILWOIGPN-UHFFFAOYSA-N
MW222.20 g/mol
LogP-0.70
Rot. Bonds2

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

methyl 2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetate (PubChem CID 43405375) has the molecular formula C9H10N4O3 and a molecular weight of 222.20 g/mol. Its IUPAC name is methyl 2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetate
PubChem CID43405375
Molecular FormulaC9H10N4O3
Molecular Weight222.20 g/mol
Exact Mass222.08
IUPAC Namemethyl 2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetate
SMILESCOC(=O)Cn1cnc2c(cnn2C)c1=O
InChIInChI=1S/C9H10N4O3/c1-12-8-6(3-11-12)9(15)13(5-10-8)4-7(14)16-2/h3,5H,4H2,1-2H3
InChIKeyWDMSMVILWOIGPN-UHFFFAOYSA-N
XLogP-0.70
TPSA79.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 5-0.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetate?
The IUPAC name of methyl 2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetate (CID 43405375) is methyl 2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetate.
What is the SMILES notation for methyl 2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetate?
The canonical SMILES for methyl 2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetate is COC(=O)Cn1cnc2c(cnn2C)c1=O.
What is the InChIKey of methyl 2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetate?
The InChIKey is WDMSMVILWOIGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O3/c1-12-8-6(3-11-12)9(15)13(5-10-8)4-7(14)16-2/h3,5H,4H2,1-2H3.
What are the key properties of methyl 2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetate?
methyl 2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetate has a molecular weight of 222.20 g/mol, XLogP of -0.70, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetate is sourced from PubChem (CID 43405375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).