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

C23H20FN5O2 — CID 30607653

IUPAC2-[4-cyclopropyl-1-(2-methylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-(4-fluorophenyl)acetamide
SMILESCc1ccccc1-n1ncc2c(C3CC3)nn(CC(=O)Nc3ccc(F)cc3)c(=O)c21
InChIInChI=1S/C23H20FN5O2/c1-14-4-2-3-5-19(14)29-22-18(12-25-29)21(15-6-7-15)27-28(23(22)31)13-20(30)26-17-10-8-16(24)9-11-17/h2-5,8-12,15H,6-7,13H2,1H3,(H,26,30)
InChIKeyHOVCAITTWZSHLD-UHFFFAOYSA-N
MW417.44 g/mol
LogP3.55
Rot. Bonds5

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

2-[4-cyclopropyl-1-(2-methylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-(4-fluorophenyl)acetamide (PubChem CID 30607653) has the molecular formula C23H20FN5O2 and a molecular weight of 417.44 g/mol. Its IUPAC name is 2-[4-cyclopropyl-1-(2-methylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-cyclopropyl-1-(2-methylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-(4-fluorophenyl)acetamide
PubChem CID30607653
Molecular FormulaC23H20FN5O2
Molecular Weight417.44 g/mol
Exact Mass417.16
IUPAC Name2-[4-cyclopropyl-1-(2-methylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-(4-fluorophenyl)acetamide
SMILESCc1ccccc1-n1ncc2c(C3CC3)nn(CC(=O)Nc3ccc(F)cc3)c(=O)c21
InChIInChI=1S/C23H20FN5O2/c1-14-4-2-3-5-19(14)29-22-18(12-25-29)21(15-6-7-15)27-28(23(22)31)13-20(30)26-17-10-8-16(24)9-11-17/h2-5,8-12,15H,6-7,13H2,1H3,(H,26,30)
InChIKeyHOVCAITTWZSHLD-UHFFFAOYSA-N
XLogP3.55
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
2-[4-cyclopropyl-1-(2,4-dimethylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-(3-methoxyphenyl)acetamide
CID 30607712
N-(2,4-difluorophenyl)-2-[4-methyl-1-(2-methylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]acetamide
CID 16846534
2-[1-(3-chlorophenyl)-4-cyclopropyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-(4-methoxyphenyl)acetamide
CID 30607466
2-[1-(3,4-dimethylphenyl)-4-methyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-(4-fluorophenyl)acetamide
CID 16846814
2-[4-cyclopropyl-1-(2,4-dimethylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N,N-di(propan-2-yl)acetamide
CID 30607724
2-[4-methyl-1-(2-methylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 16846564
2-[1-(2,4-dimethylphenyl)-4-methyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-(4-methylphenyl)acetamide
CID 16846665
2-(4-cyclopropyl-7-oxo-1-phenylpyrazolo[4,5-d]pyridazin-6-yl)acetamide
CID 30607368
N-(2,3-dimethylphenyl)-2-[1-(2-methylphenyl)-7-oxo-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl]acetamide
CID 16847171
2-[4-cyclopropyl-1-(3,4-dimethylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-propylacetamide
CID 30607744

Frequently Asked Questions

What is the IUPAC name of 2-[4-cyclopropyl-1-(2-methylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[4-cyclopropyl-1-(2-methylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-(4-fluorophenyl)acetamide (CID 30607653) is 2-[4-cyclopropyl-1-(2-methylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[4-cyclopropyl-1-(2-methylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[4-cyclopropyl-1-(2-methylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-(4-fluorophenyl)acetamide is Cc1ccccc1-n1ncc2c(C3CC3)nn(CC(=O)Nc3ccc(F)cc3)c(=O)c21.
What is the InChIKey of 2-[4-cyclopropyl-1-(2-methylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-(4-fluorophenyl)acetamide?
The InChIKey is HOVCAITTWZSHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O2/c1-14-4-2-3-5-19(14)29-22-18(12-25-29)21(15-6-7-15)27-28(23(22)31)13-20(30)26-17-10-8-16(24)9-11-17/h2-5,8-12,15H,6-7,13H2,1H3,(H,26,30).
What are the key properties of 2-[4-cyclopropyl-1-(2-methylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-(4-fluorophenyl)acetamide?
2-[4-cyclopropyl-1-(2-methylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-(4-fluorophenyl)acetamide has a molecular weight of 417.44 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-cyclopropyl-1-(2-methylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 30607653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).