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

C15H14N4O4 — CID 1433630

IUPACmethyl 2-[1-(4-methoxyphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetate
SMILESCOC(=O)Cn1cnc2c(cnn2-c2ccc(OC)cc2)c1=O
InChIInChI=1S/C15H14N4O4/c1-22-11-5-3-10(4-6-11)19-14-12(7-17-19)15(21)18(9-16-14)8-13(20)23-2/h3-7,9H,8H2,1-2H3
InChIKeyCQGGRWOTPHIAKS-UHFFFAOYSA-N
MW314.30 g/mol
LogP0.76
Rot. Bonds4

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

methyl 2-[1-(4-methoxyphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetate (PubChem CID 1433630) has the molecular formula C15H14N4O4 and a molecular weight of 314.30 g/mol. Its IUPAC name is methyl 2-[1-(4-methoxyphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(4-methoxyphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetate
PubChem CID1433630
Molecular FormulaC15H14N4O4
Molecular Weight314.30 g/mol
Exact Mass314.10
IUPAC Namemethyl 2-[1-(4-methoxyphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetate
SMILESCOC(=O)Cn1cnc2c(cnn2-c2ccc(OC)cc2)c1=O
InChIInChI=1S/C15H14N4O4/c1-22-11-5-3-10(4-6-11)19-14-12(7-17-19)15(21)18(9-16-14)8-13(20)23-2/h3-7,9H,8H2,1-2H3
InChIKeyCQGGRWOTPHIAKS-UHFFFAOYSA-N
XLogP0.76
TPSA88.24 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(4-methoxyphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetate?
The IUPAC name of methyl 2-[1-(4-methoxyphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetate (CID 1433630) is methyl 2-[1-(4-methoxyphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetate.
What is the SMILES notation for methyl 2-[1-(4-methoxyphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetate?
The canonical SMILES for methyl 2-[1-(4-methoxyphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetate is COC(=O)Cn1cnc2c(cnn2-c2ccc(OC)cc2)c1=O.
What is the InChIKey of methyl 2-[1-(4-methoxyphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetate?
The InChIKey is CQGGRWOTPHIAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O4/c1-22-11-5-3-10(4-6-11)19-14-12(7-17-19)15(21)18(9-16-14)8-13(20)23-2/h3-7,9H,8H2,1-2H3.
What are the key properties of methyl 2-[1-(4-methoxyphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetate?
methyl 2-[1-(4-methoxyphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetate has a molecular weight of 314.30 g/mol, XLogP of 0.76, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(4-methoxyphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetate is sourced from PubChem (CID 1433630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).