ethyl 2-[[2-(4-cyclopropyl-7-oxo-1-phenylpyrazolo[4,5-d]pyridazin-6-yl)acetyl]amino]acetate

C20H21N5O4 — CID 30607404

IUPACethyl 2-[[2-(4-cyclopropyl-7-oxo-1-phenylpyrazolo[4,5-d]pyridazin-6-yl)acetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)Cn1nc(C2CC2)c2cnn(-c3ccccc3)c2c1=O
InChIInChI=1S/C20H21N5O4/c1-2-29-17(27)11-21-16(26)12-24-20(28)19-15(18(23-24)13-8-9-13)10-22-25(19)14-6-4-3-5-7-14/h3-7,10,13H,2,8-9,11-12H2,1H3,(H,21,26)
InChIKeyZYRBRHLTHHJRLV-UHFFFAOYSA-N
MW395.42 g/mol
LogP1.14
Rot. Bonds7

About ethyl 2-[[2-(4-cyclopropyl-7-oxo-1-phenylpyrazolo[4,5-d]pyridazin-6-yl)acetyl]amino]acetate

ethyl 2-[[2-(4-cyclopropyl-7-oxo-1-phenylpyrazolo[4,5-d]pyridazin-6-yl)acetyl]amino]acetate (PubChem CID 30607404) has the molecular formula C20H21N5O4 and a molecular weight of 395.42 g/mol. Its IUPAC name is ethyl 2-[[2-(4-cyclopropyl-7-oxo-1-phenylpyrazolo[4,5-d]pyridazin-6-yl)acetyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-(4-cyclopropyl-7-oxo-1-phenylpyrazolo[4,5-d]pyridazin-6-yl)acetyl]amino]acetate
PubChem CID30607404
Molecular FormulaC20H21N5O4
Molecular Weight395.42 g/mol
Exact Mass395.16
IUPAC Nameethyl 2-[[2-(4-cyclopropyl-7-oxo-1-phenylpyrazolo[4,5-d]pyridazin-6-yl)acetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)Cn1nc(C2CC2)c2cnn(-c3ccccc3)c2c1=O
InChIInChI=1S/C20H21N5O4/c1-2-29-17(27)11-21-16(26)12-24-20(28)19-15(18(23-24)13-8-9-13)10-22-25(19)14-6-4-3-5-7-14/h3-7,10,13H,2,8-9,11-12H2,1H3,(H,21,26)
InChIKeyZYRBRHLTHHJRLV-UHFFFAOYSA-N
XLogP1.14
TPSA108.11 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 2-[[2-(4-cyclopropyl-7-oxo-1-phenylpyrazolo[4,5-d]pyridazin-6-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-(4-cyclopropyl-7-oxo-1-phenylpyrazolo[4,5-d]pyridazin-6-yl)acetyl]amino]acetate?
The IUPAC name of ethyl 2-[[2-(4-cyclopropyl-7-oxo-1-phenylpyrazolo[4,5-d]pyridazin-6-yl)acetyl]amino]acetate (CID 30607404) is ethyl 2-[[2-(4-cyclopropyl-7-oxo-1-phenylpyrazolo[4,5-d]pyridazin-6-yl)acetyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-(4-cyclopropyl-7-oxo-1-phenylpyrazolo[4,5-d]pyridazin-6-yl)acetyl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-(4-cyclopropyl-7-oxo-1-phenylpyrazolo[4,5-d]pyridazin-6-yl)acetyl]amino]acetate is CCOC(=O)CNC(=O)Cn1nc(C2CC2)c2cnn(-c3ccccc3)c2c1=O.
What is the InChIKey of ethyl 2-[[2-(4-cyclopropyl-7-oxo-1-phenylpyrazolo[4,5-d]pyridazin-6-yl)acetyl]amino]acetate?
The InChIKey is ZYRBRHLTHHJRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O4/c1-2-29-17(27)11-21-16(26)12-24-20(28)19-15(18(23-24)13-8-9-13)10-22-25(19)14-6-4-3-5-7-14/h3-7,10,13H,2,8-9,11-12H2,1H3,(H,21,26).
What are the key properties of ethyl 2-[[2-(4-cyclopropyl-7-oxo-1-phenylpyrazolo[4,5-d]pyridazin-6-yl)acetyl]amino]acetate?
ethyl 2-[[2-(4-cyclopropyl-7-oxo-1-phenylpyrazolo[4,5-d]pyridazin-6-yl)acetyl]amino]acetate has a molecular weight of 395.42 g/mol, XLogP of 1.14, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(4-cyclopropyl-7-oxo-1-phenylpyrazolo[4,5-d]pyridazin-6-yl)acetyl]amino]acetate is sourced from PubChem (CID 30607404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).