2-[1-(3-chlorophenyl)-4-cyclopropyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-methylacetamide

C17H16ClN5O2 — CID 30607501

IUPAC2-[1-(3-chlorophenyl)-4-cyclopropyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-methylacetamide
SMILESCNC(=O)Cn1nc(C2CC2)c2cnn(-c3cccc(Cl)c3)c2c1=O
InChIInChI=1S/C17H16ClN5O2/c1-19-14(24)9-22-17(25)16-13(15(21-22)10-5-6-10)8-20-23(16)12-4-2-3-11(18)7-12/h2-4,7-8,10H,5-6,9H2,1H3,(H,19,24)
InChIKeyLAYVGIXFHUWYSI-UHFFFAOYSA-N
MW357.80 g/mol
LogP1.86
Rot. Bonds4

About 2-[1-(3-chlorophenyl)-4-cyclopropyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-methylacetamide

2-[1-(3-chlorophenyl)-4-cyclopropyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-methylacetamide (PubChem CID 30607501) has the molecular formula C17H16ClN5O2 and a molecular weight of 357.80 g/mol. Its IUPAC name is 2-[1-(3-chlorophenyl)-4-cyclopropyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[1-(3-chlorophenyl)-4-cyclopropyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-methylacetamide
PubChem CID30607501
Molecular FormulaC17H16ClN5O2
Molecular Weight357.80 g/mol
Exact Mass357.10
IUPAC Name2-[1-(3-chlorophenyl)-4-cyclopropyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-methylacetamide
SMILESCNC(=O)Cn1nc(C2CC2)c2cnn(-c3cccc(Cl)c3)c2c1=O
InChIInChI=1S/C17H16ClN5O2/c1-19-14(24)9-22-17(25)16-13(15(21-22)10-5-6-10)8-20-23(16)12-4-2-3-11(18)7-12/h2-4,7-8,10H,5-6,9H2,1H3,(H,19,24)
InChIKeyLAYVGIXFHUWYSI-UHFFFAOYSA-N
XLogP1.86
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[1-(3-chlorophenyl)-4-cyclopropyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-methylacetamide with MolForge

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

Launch Full Analysis

Related Compounds

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
2-(4-cyclopropyl-7-oxo-1-phenylpyrazolo[4,5-d]pyridazin-6-yl)acetamide
CID 30607368
2-[4-cyclopropyl-1-(3,4-dimethylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-propylacetamide
CID 30607744
2-[4-cyclopropyl-1-(3,4-dimethylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-(furan-2-ylmethyl)acetamide
CID 30607742
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-cyclopropyl-7-oxo-1-phenylpyrazolo[4,5-d]pyridazin-6-yl)acetamide
CID 30607406
benzyl 2-(4-cyclopropyl-7-oxo-1-phenylpyrazolo[4,5-d]pyridazin-6-yl)acetate
CID 30607424
4-cyclopropyl-6-(2-morpholin-4-yl-2-oxoethyl)-1-phenylpyrazolo[4,5-d]pyridazin-7-one
CID 30607360
N-(3-chlorophenyl)-2-[1-(3,4-dimethylphenyl)-4-methyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]acetamide
CID 16846903
N-(4-acetylphenyl)-2-[4-cyclopropyl-1-(4-fluorophenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]acetamide
CID 30607565
4-cyclopropyl-6-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-phenylpyrazolo[4,5-d]pyridazin-7-one
CID 30607364
2-[4-cyclopropyl-1-(2,4-dimethylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-(3-methoxyphenyl)acetamide
CID 30607712

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chlorophenyl)-4-cyclopropyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-methylacetamide?
The IUPAC name of 2-[1-(3-chlorophenyl)-4-cyclopropyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-methylacetamide (CID 30607501) is 2-[1-(3-chlorophenyl)-4-cyclopropyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-methylacetamide.
What is the SMILES notation for 2-[1-(3-chlorophenyl)-4-cyclopropyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-methylacetamide?
The canonical SMILES for 2-[1-(3-chlorophenyl)-4-cyclopropyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-methylacetamide is CNC(=O)Cn1nc(C2CC2)c2cnn(-c3cccc(Cl)c3)c2c1=O.
What is the InChIKey of 2-[1-(3-chlorophenyl)-4-cyclopropyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-methylacetamide?
The InChIKey is LAYVGIXFHUWYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O2/c1-19-14(24)9-22-17(25)16-13(15(21-22)10-5-6-10)8-20-23(16)12-4-2-3-11(18)7-12/h2-4,7-8,10H,5-6,9H2,1H3,(H,19,24).
What are the key properties of 2-[1-(3-chlorophenyl)-4-cyclopropyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-methylacetamide?
2-[1-(3-chlorophenyl)-4-cyclopropyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-methylacetamide has a molecular weight of 357.80 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chlorophenyl)-4-cyclopropyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-methylacetamide is sourced from PubChem (CID 30607501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).