ethyl 2-[[2-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetyl]amino]acetate

C17H16ClN5O4 — CID 7243719

IUPACethyl 2-[[2-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)Cn1cnc2c(cnn2-c2cccc(Cl)c2)c1=O
InChIInChI=1S/C17H16ClN5O4/c1-2-27-15(25)8-19-14(24)9-22-10-20-16-13(17(22)26)7-21-23(16)12-5-3-4-11(18)6-12/h3-7,10H,2,8-9H2,1H3,(H,19,24)
InChIKeyBUVOZPSKLZNFPB-UHFFFAOYSA-N
MW389.80 g/mol
LogP0.91
Rot. Bonds6

About ethyl 2-[[2-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetyl]amino]acetate

ethyl 2-[[2-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetyl]amino]acetate (PubChem CID 7243719) has the molecular formula C17H16ClN5O4 and a molecular weight of 389.80 g/mol. Its IUPAC name is ethyl 2-[[2-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetyl]amino]acetate
PubChem CID7243719
Molecular FormulaC17H16ClN5O4
Molecular Weight389.80 g/mol
Exact Mass389.09
IUPAC Nameethyl 2-[[2-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)Cn1cnc2c(cnn2-c2cccc(Cl)c2)c1=O
InChIInChI=1S/C17H16ClN5O4/c1-2-27-15(25)8-19-14(24)9-22-10-20-16-13(17(22)26)7-21-23(16)12-5-3-4-11(18)6-12/h3-7,10H,2,8-9H2,1H3,(H,19,24)
InChIKeyBUVOZPSKLZNFPB-UHFFFAOYSA-N
XLogP0.91
TPSA108.11 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.80
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 2-[[2-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetyl]amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetyl]amino]acetate?
The IUPAC name of ethyl 2-[[2-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetyl]amino]acetate (CID 7243719) is ethyl 2-[[2-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetyl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetyl]amino]acetate is CCOC(=O)CNC(=O)Cn1cnc2c(cnn2-c2cccc(Cl)c2)c1=O.
What is the InChIKey of ethyl 2-[[2-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetyl]amino]acetate?
The InChIKey is BUVOZPSKLZNFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O4/c1-2-27-15(25)8-19-14(24)9-22-10-20-16-13(17(22)26)7-21-23(16)12-5-3-4-11(18)6-12/h3-7,10H,2,8-9H2,1H3,(H,19,24).
What are the key properties of ethyl 2-[[2-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetyl]amino]acetate?
ethyl 2-[[2-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetyl]amino]acetate has a molecular weight of 389.80 g/mol, XLogP of 0.91, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetyl]amino]acetate is sourced from PubChem (CID 7243719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).