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

C23H20N4O3 — CID 30607424

IUPACbenzyl 2-(4-cyclopropyl-7-oxo-1-phenylpyrazolo[4,5-d]pyridazin-6-yl)acetate
SMILESO=C(Cn1nc(C2CC2)c2cnn(-c3ccccc3)c2c1=O)OCc1ccccc1
InChIInChI=1S/C23H20N4O3/c28-20(30-15-16-7-3-1-4-8-16)14-26-23(29)22-19(21(25-26)17-11-12-17)13-24-27(22)18-9-5-2-6-10-18/h1-10,13,17H,11-12,14-15H2
InChIKeyNWZQVRDQBJYDCH-UHFFFAOYSA-N
MW400.44 g/mol
LogP3.20
Rot. Bonds6

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

benzyl 2-(4-cyclopropyl-7-oxo-1-phenylpyrazolo[4,5-d]pyridazin-6-yl)acetate (PubChem CID 30607424) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is benzyl 2-(4-cyclopropyl-7-oxo-1-phenylpyrazolo[4,5-d]pyridazin-6-yl)acetate.

Molecular Properties

Compound Namebenzyl 2-(4-cyclopropyl-7-oxo-1-phenylpyrazolo[4,5-d]pyridazin-6-yl)acetate
PubChem CID30607424
Molecular FormulaC23H20N4O3
Molecular Weight400.44 g/mol
Exact Mass400.15
IUPAC Namebenzyl 2-(4-cyclopropyl-7-oxo-1-phenylpyrazolo[4,5-d]pyridazin-6-yl)acetate
SMILESO=C(Cn1nc(C2CC2)c2cnn(-c3ccccc3)c2c1=O)OCc1ccccc1
InChIInChI=1S/C23H20N4O3/c28-20(30-15-16-7-3-1-4-8-16)14-26-23(29)22-19(21(25-26)17-11-12-17)13-24-27(22)18-9-5-2-6-10-18/h1-10,13,17H,11-12,14-15H2
InChIKeyNWZQVRDQBJYDCH-UHFFFAOYSA-N
XLogP3.20
TPSA79.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-cyclopropyl-7-oxo-1-phenylpyrazolo[4,5-d]pyridazin-6-yl)acetamide
CID 30607368
4-cyclopropyl-6-(2-morpholin-4-yl-2-oxoethyl)-1-phenylpyrazolo[4,5-d]pyridazin-7-one
CID 30607360
benzyl 2-[1-(4-fluorophenyl)-4-methyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]acetate
CID 16846465
4-cyclopropyl-6-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-phenylpyrazolo[4,5-d]pyridazin-7-one
CID 30607364
benzyl 2-[1-(3,4-dimethylphenyl)-7-oxo-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl]acetate
CID 16847348
2-[1-(3-chlorophenyl)-4-cyclopropyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-methylacetamide
CID 30607501
2-[1-(3-chlorophenyl)-4-cyclopropyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-cyclohexylacetamide
CID 30607470
2-[1-(3-chlorophenyl)-4-cyclopropyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-(4-methoxyphenyl)acetamide
CID 30607466
benzyl 2-[1-(4-methoxyphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetate
CID 648375
2-[4-cyclopropyl-1-(3,4-dimethylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-propylacetamide
CID 30607744
4-[[2-[4-cyclopropyl-1-(2-methylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]acetyl]amino]benzamide
CID 30607669
N-(4-acetylphenyl)-2-[4-cyclopropyl-1-(4-fluorophenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]acetamide
CID 30607565

Frequently Asked Questions

What is the IUPAC name of benzyl 2-(4-cyclopropyl-7-oxo-1-phenylpyrazolo[4,5-d]pyridazin-6-yl)acetate?
The IUPAC name of benzyl 2-(4-cyclopropyl-7-oxo-1-phenylpyrazolo[4,5-d]pyridazin-6-yl)acetate (CID 30607424) is benzyl 2-(4-cyclopropyl-7-oxo-1-phenylpyrazolo[4,5-d]pyridazin-6-yl)acetate.
What is the SMILES notation for benzyl 2-(4-cyclopropyl-7-oxo-1-phenylpyrazolo[4,5-d]pyridazin-6-yl)acetate?
The canonical SMILES for benzyl 2-(4-cyclopropyl-7-oxo-1-phenylpyrazolo[4,5-d]pyridazin-6-yl)acetate is O=C(Cn1nc(C2CC2)c2cnn(-c3ccccc3)c2c1=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-(4-cyclopropyl-7-oxo-1-phenylpyrazolo[4,5-d]pyridazin-6-yl)acetate?
The InChIKey is NWZQVRDQBJYDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3/c28-20(30-15-16-7-3-1-4-8-16)14-26-23(29)22-19(21(25-26)17-11-12-17)13-24-27(22)18-9-5-2-6-10-18/h1-10,13,17H,11-12,14-15H2.
What are the key properties of benzyl 2-(4-cyclopropyl-7-oxo-1-phenylpyrazolo[4,5-d]pyridazin-6-yl)acetate?
benzyl 2-(4-cyclopropyl-7-oxo-1-phenylpyrazolo[4,5-d]pyridazin-6-yl)acetate has a molecular weight of 400.44 g/mol, XLogP of 3.20, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(4-cyclopropyl-7-oxo-1-phenylpyrazolo[4,5-d]pyridazin-6-yl)acetate is sourced from PubChem (CID 30607424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).