2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-(2-methoxyethyl)acetamide;bis(2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-(2-methylpropyl)acetamide);2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-propylacetamide

C90H84Cl4N20O5 — CID 157110305

IUPAC2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-(2-methoxyethyl)acetamide;bis(2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-(2-methylpropyl)acetamide);2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-propylacetamide
SMILESCC(C)CNC(=O)Cn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21.CC(C)CNC(=O)Cn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21.CCCNC(=O)Cn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21.COCCNC(=O)Cn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21
InChIInChI=1S/2C23H22ClN5O.C22H20ClN5O2.C22H20ClN5O/c2*1-15(2)13-25-18(30)14-29-23-19(21(28-29)16-9-5-3-6-10-16)20(24)22(26-27-23)17-11-7-4-8-12-17;1-30-13-12-24-17(29)14-28-22-18(20(27-28)15-8-4-2-5-9-15)19(23)21(25-26-22)16-10-6-3-7-11-16;1-2-13-24-17(29)14-28-22-18(20(27-28)15-9-5-3-6-10-15)19(23)21(25-26-22)16-11-7-4-8-12-16/h2*3-12,15H,13-14H2,1-2H3,(H,25,30);2-11H,12-14H2,1H3,(H,24,29);3-12H,2,13-14H2,1H3,(H,24,29)
InChIKeyAGTREKYDOSRUDY-UHFFFAOYSA-N
MW1667.61 g/mol
LogP17.09
Rot. Bonds25

About 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-(2-methoxyethyl)acetamide;bis(2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-(2-methylpropyl)acetamide);2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-propylacetamide

2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-(2-methoxyethyl)acetamide;bis(2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-(2-methylpropyl)acetamide);2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-propylacetamide (PubChem CID 157110305) has the molecular formula C90H84Cl4N20O5 and a molecular weight of 1667.61 g/mol. Its IUPAC name is 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-(2-methoxyethyl)acetamide;bis(2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-(2-methylpropyl)acetamide);2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-propylacetamide.

Molecular Properties

Compound Name2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-(2-methoxyethyl)acetamide;bis(2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-(2-methylpropyl)acetamide);2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-propylacetamide
PubChem CID157110305
Molecular FormulaC90H84Cl4N20O5
Molecular Weight1667.61 g/mol
Exact Mass1664.57
IUPAC Name2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-(2-methoxyethyl)acetamide;bis(2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-(2-methylpropyl)acetamide);2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-propylacetamide
SMILESCC(C)CNC(=O)Cn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21.CC(C)CNC(=O)Cn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21.CCCNC(=O)Cn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21.COCCNC(=O)Cn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21
InChIInChI=1S/2C23H22ClN5O.C22H20ClN5O2.C22H20ClN5O/c2*1-15(2)13-25-18(30)14-29-23-19(21(28-29)16-9-5-3-6-10-16)20(24)22(26-27-23)17-11-7-4-8-12-17;1-30-13-12-24-17(29)14-28-22-18(20(27-28)15-8-4-2-5-9-15)19(23)21(25-26-22)16-10-6-3-7-11-16;1-2-13-24-17(29)14-28-22-18(20(27-28)15-9-5-3-6-10-15)19(23)21(25-26-22)16-11-7-4-8-12-16/h2*3-12,15H,13-14H2,1-2H3,(H,25,30);2-11H,12-14H2,1H3,(H,24,29);3-12H,2,13-14H2,1H3,(H,24,29)
InChIKeyAGTREKYDOSRUDY-UHFFFAOYSA-N
XLogP17.09
TPSA300.03 Ų
H-Bond Donors4
H-Bond Acceptors21
Rotatable Bonds25
Heavy Atoms119
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001667.61
LogP ≤ 517.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-(2-methoxyethyl)acetamide;bis(2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-(2-methylpropyl)acetamide);2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-propylacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-(2-methoxyethyl)acetamide;bis(2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-(2-methylpropyl)acetamide);2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-propylacetamide?
The IUPAC name of 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-(2-methoxyethyl)acetamide;bis(2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-(2-methylpropyl)acetamide);2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-propylacetamide (CID 157110305) is 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-(2-methoxyethyl)acetamide;bis(2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-(2-methylpropyl)acetamide);2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-propylacetamide.
What is the SMILES notation for 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-(2-methoxyethyl)acetamide;bis(2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-(2-methylpropyl)acetamide);2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-propylacetamide?
The canonical SMILES for 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-(2-methoxyethyl)acetamide;bis(2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-(2-methylpropyl)acetamide);2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-propylacetamide is CC(C)CNC(=O)Cn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21.CC(C)CNC(=O)Cn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21.CCCNC(=O)Cn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21.COCCNC(=O)Cn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21.
What is the InChIKey of 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-(2-methoxyethyl)acetamide;bis(2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-(2-methylpropyl)acetamide);2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-propylacetamide?
The InChIKey is AGTREKYDOSRUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H22ClN5O.C22H20ClN5O2.C22H20ClN5O/c2*1-15(2)13-25-18(30)14-29-23-19(21(28-29)16-9-5-3-6-10-16)20(24)22(26-27-23)17-11-7-4-8-12-17;1-30-13-12-24-17(29)14-28-22-18(20(27-28)15-8-4-2-5-9-15)19(23)21(25-26-22)16-10-6-3-7-11-16;1-2-13-24-17(29)14-28-22-18(20(27-28)15-9-5-3-6-10-15)19(23)21(25-26-22)16-11-7-4-8-12-16/h2*3-12,15H,13-14H2,1-2H3,(H,25,30);2-11H,12-14H2,1H3,(H,24,29);3-12H,2,13-14H2,1H3,(H,24,29).
What are the key properties of 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-(2-methoxyethyl)acetamide;bis(2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-(2-methylpropyl)acetamide);2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-propylacetamide?
2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-(2-methoxyethyl)acetamide;bis(2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-(2-methylpropyl)acetamide);2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-propylacetamide has a molecular weight of 1667.61 g/mol, XLogP of 17.09, 25 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-(2-methoxyethyl)acetamide;bis(2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-(2-methylpropyl)acetamide);2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-propylacetamide is sourced from PubChem (CID 157110305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).