2-[4-cyclopropyl-1-(4-fluorophenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-(2-methoxyethyl)acetamide

C19H20FN5O3 — CID 30607608

IUPAC2-[4-cyclopropyl-1-(4-fluorophenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)Cn1nc(C2CC2)c2cnn(-c3ccc(F)cc3)c2c1=O
InChIInChI=1S/C19H20FN5O3/c1-28-9-8-21-16(26)11-24-19(27)18-15(17(23-24)12-2-3-12)10-22-25(18)14-6-4-13(20)5-7-14/h4-7,10,12H,2-3,8-9,11H2,1H3,(H,21,26)
InChIKeyGASATFYDPQUSKW-UHFFFAOYSA-N
MW385.40 g/mol
LogP1.36
Rot. Bonds7

About 2-[4-cyclopropyl-1-(4-fluorophenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-(2-methoxyethyl)acetamide

2-[4-cyclopropyl-1-(4-fluorophenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-(2-methoxyethyl)acetamide (PubChem CID 30607608) has the molecular formula C19H20FN5O3 and a molecular weight of 385.40 g/mol. Its IUPAC name is 2-[4-cyclopropyl-1-(4-fluorophenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[4-cyclopropyl-1-(4-fluorophenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-(2-methoxyethyl)acetamide
PubChem CID30607608
Molecular FormulaC19H20FN5O3
Molecular Weight385.40 g/mol
Exact Mass385.16
IUPAC Name2-[4-cyclopropyl-1-(4-fluorophenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)Cn1nc(C2CC2)c2cnn(-c3ccc(F)cc3)c2c1=O
InChIInChI=1S/C19H20FN5O3/c1-28-9-8-21-16(26)11-24-19(27)18-15(17(23-24)12-2-3-12)10-22-25(18)14-6-4-13(20)5-7-14/h4-7,10,12H,2-3,8-9,11H2,1H3,(H,21,26)
InChIKeyGASATFYDPQUSKW-UHFFFAOYSA-N
XLogP1.36
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.40
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-cyclopropyl-1-(4-fluorophenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[4-cyclopropyl-1-(4-fluorophenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-(2-methoxyethyl)acetamide (CID 30607608) is 2-[4-cyclopropyl-1-(4-fluorophenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[4-cyclopropyl-1-(4-fluorophenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[4-cyclopropyl-1-(4-fluorophenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-(2-methoxyethyl)acetamide is COCCNC(=O)Cn1nc(C2CC2)c2cnn(-c3ccc(F)cc3)c2c1=O.
What is the InChIKey of 2-[4-cyclopropyl-1-(4-fluorophenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-(2-methoxyethyl)acetamide?
The InChIKey is GASATFYDPQUSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O3/c1-28-9-8-21-16(26)11-24-19(27)18-15(17(23-24)12-2-3-12)10-22-25(18)14-6-4-13(20)5-7-14/h4-7,10,12H,2-3,8-9,11H2,1H3,(H,21,26).
What are the key properties of 2-[4-cyclopropyl-1-(4-fluorophenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-(2-methoxyethyl)acetamide?
2-[4-cyclopropyl-1-(4-fluorophenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-(2-methoxyethyl)acetamide has a molecular weight of 385.40 g/mol, XLogP of 1.36, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-cyclopropyl-1-(4-fluorophenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 30607608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).