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

C22H24ClN5O2 — CID 30607470

IUPAC2-[1-(3-chlorophenyl)-4-cyclopropyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-cyclohexylacetamide
SMILESO=C(Cn1nc(C2CC2)c2cnn(-c3cccc(Cl)c3)c2c1=O)NC1CCCCC1
InChIInChI=1S/C22H24ClN5O2/c23-15-5-4-8-17(11-15)28-21-18(12-24-28)20(14-9-10-14)26-27(22(21)30)13-19(29)25-16-6-2-1-3-7-16/h4-5,8,11-12,14,16H,1-3,6-7,9-10,13H2,(H,25,29)
InChIKeyWFYAVRXVPFFKMX-UHFFFAOYSA-N
MW425.92 g/mol
LogP3.56
Rot. Bonds5

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

2-[1-(3-chlorophenyl)-4-cyclopropyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-cyclohexylacetamide (PubChem CID 30607470) has the molecular formula C22H24ClN5O2 and a molecular weight of 425.92 g/mol. Its IUPAC name is 2-[1-(3-chlorophenyl)-4-cyclopropyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[1-(3-chlorophenyl)-4-cyclopropyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-cyclohexylacetamide
PubChem CID30607470
Molecular FormulaC22H24ClN5O2
Molecular Weight425.92 g/mol
Exact Mass425.16
IUPAC Name2-[1-(3-chlorophenyl)-4-cyclopropyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-cyclohexylacetamide
SMILESO=C(Cn1nc(C2CC2)c2cnn(-c3cccc(Cl)c3)c2c1=O)NC1CCCCC1
InChIInChI=1S/C22H24ClN5O2/c23-15-5-4-8-17(11-15)28-21-18(12-24-28)20(14-9-10-14)26-27(22(21)30)13-19(29)25-16-6-2-1-3-7-16/h4-5,8,11-12,14,16H,1-3,6-7,9-10,13H2,(H,25,29)
InChIKeyWFYAVRXVPFFKMX-UHFFFAOYSA-N
XLogP3.56
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.92
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-(4-methoxyphenyl)acetamide
CID 30607466
2-(4-cyclopropyl-7-oxo-1-phenylpyrazolo[4,5-d]pyridazin-6-yl)acetamide
CID 30607368
N-cyclopentyl-2-[1-(3,4-dimethylphenyl)-7-oxo-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl]acetamide
CID 16847318
benzyl 2-(4-cyclopropyl-7-oxo-1-phenylpyrazolo[4,5-d]pyridazin-6-yl)acetate
CID 30607424
2-[4-cyclopropyl-1-(3,4-dimethylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-propylacetamide
CID 30607744
2-[5-[(3-chlorophenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]-N-cyclopentylacetamide
CID 20892259
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-cyclopropyl-7-oxo-1-phenylpyrazolo[4,5-d]pyridazin-6-yl)acetamide
CID 30607406
2-(6-chloroindazol-1-yl)-N-cyclohexylacetamide
CID 22510003
4-cyclopropyl-6-(2-morpholin-4-yl-2-oxoethyl)-1-phenylpyrazolo[4,5-d]pyridazin-7-one
CID 30607360
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-(3,4-dimethylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-(furan-2-ylmethyl)acetamide
CID 30607742

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chlorophenyl)-4-cyclopropyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-cyclohexylacetamide?
The IUPAC name of 2-[1-(3-chlorophenyl)-4-cyclopropyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-cyclohexylacetamide (CID 30607470) is 2-[1-(3-chlorophenyl)-4-cyclopropyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[1-(3-chlorophenyl)-4-cyclopropyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-cyclohexylacetamide?
The canonical SMILES for 2-[1-(3-chlorophenyl)-4-cyclopropyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-cyclohexylacetamide is O=C(Cn1nc(C2CC2)c2cnn(-c3cccc(Cl)c3)c2c1=O)NC1CCCCC1.
What is the InChIKey of 2-[1-(3-chlorophenyl)-4-cyclopropyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-cyclohexylacetamide?
The InChIKey is WFYAVRXVPFFKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN5O2/c23-15-5-4-8-17(11-15)28-21-18(12-24-28)20(14-9-10-14)26-27(22(21)30)13-19(29)25-16-6-2-1-3-7-16/h4-5,8,11-12,14,16H,1-3,6-7,9-10,13H2,(H,25,29).
What are the key properties of 2-[1-(3-chlorophenyl)-4-cyclopropyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-cyclohexylacetamide?
2-[1-(3-chlorophenyl)-4-cyclopropyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-cyclohexylacetamide has a molecular weight of 425.92 g/mol, XLogP of 3.56, 5 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-cyclohexylacetamide is sourced from PubChem (CID 30607470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).