ethyl 6-chloro-4-[(6-pyrazol-1-yl-2-pyridinyl)amino]pyridazine-3-carboxylate;ethyl 4,6-dichloropyridazine-3-carboxylate

C22H19Cl3N8O4 — CID 160823327

IUPACethyl 6-chloro-4-[(6-pyrazol-1-yl-2-pyridinyl)amino]pyridazine-3-carboxylate;ethyl 4,6-dichloropyridazine-3-carboxylate
SMILESCCOC(=O)c1nnc(Cl)cc1Cl.CCOC(=O)c1nnc(Cl)cc1Nc1cccc(-n2cccn2)n1
InChIInChI=1S/C15H13ClN6O2.C7H6Cl2N2O2/c1-2-24-15(23)14-10(9-11(16)20-21-14)18-12-5-3-6-13(19-12)22-8-4-7-17-22;1-2-13-7(12)6-4(8)3-5(9)10-11-6/h3-9H,2H2,1H3,(H,18,19,20);3H,2H2,1H3
InChIKeySFVHGFOPHGVLON-UHFFFAOYSA-N
MW565.81 g/mol
LogP4.59
Rot. Bonds7

About ethyl 6-chloro-4-[(6-pyrazol-1-yl-2-pyridinyl)amino]pyridazine-3-carboxylate;ethyl 4,6-dichloropyridazine-3-carboxylate

ethyl 6-chloro-4-[(6-pyrazol-1-yl-2-pyridinyl)amino]pyridazine-3-carboxylate;ethyl 4,6-dichloropyridazine-3-carboxylate (PubChem CID 160823327) has the molecular formula C22H19Cl3N8O4 and a molecular weight of 565.81 g/mol. Its IUPAC name is ethyl 6-chloro-4-[(6-pyrazol-1-yl-2-pyridinyl)amino]pyridazine-3-carboxylate;ethyl 4,6-dichloropyridazine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-chloro-4-[(6-pyrazol-1-yl-2-pyridinyl)amino]pyridazine-3-carboxylate;ethyl 4,6-dichloropyridazine-3-carboxylate
PubChem CID160823327
Molecular FormulaC22H19Cl3N8O4
Molecular Weight565.81 g/mol
Exact Mass564.06
IUPAC Nameethyl 6-chloro-4-[(6-pyrazol-1-yl-2-pyridinyl)amino]pyridazine-3-carboxylate;ethyl 4,6-dichloropyridazine-3-carboxylate
SMILESCCOC(=O)c1nnc(Cl)cc1Cl.CCOC(=O)c1nnc(Cl)cc1Nc1cccc(-n2cccn2)n1
InChIInChI=1S/C15H13ClN6O2.C7H6Cl2N2O2/c1-2-24-15(23)14-10(9-11(16)20-21-14)18-12-5-3-6-13(19-12)22-8-4-7-17-22;1-2-13-7(12)6-4(8)3-5(9)10-11-6/h3-9H,2H2,1H3,(H,18,19,20);3H,2H2,1H3
InChIKeySFVHGFOPHGVLON-UHFFFAOYSA-N
XLogP4.59
TPSA146.90 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.81
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze ethyl 6-chloro-4-[(6-pyrazol-1-yl-2-pyridinyl)amino]pyridazine-3-carboxylate;ethyl 4,6-dichloropyridazine-3-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 6-chloro-4-[(6-pyrazol-1-yl-2-pyridinyl)amino]pyridazine-3-carboxylate;ethyl 4,6-dichloropyridazine-3-carboxylate?
The IUPAC name of ethyl 6-chloro-4-[(6-pyrazol-1-yl-2-pyridinyl)amino]pyridazine-3-carboxylate;ethyl 4,6-dichloropyridazine-3-carboxylate (CID 160823327) is ethyl 6-chloro-4-[(6-pyrazol-1-yl-2-pyridinyl)amino]pyridazine-3-carboxylate;ethyl 4,6-dichloropyridazine-3-carboxylate.
What is the SMILES notation for ethyl 6-chloro-4-[(6-pyrazol-1-yl-2-pyridinyl)amino]pyridazine-3-carboxylate;ethyl 4,6-dichloropyridazine-3-carboxylate?
The canonical SMILES for ethyl 6-chloro-4-[(6-pyrazol-1-yl-2-pyridinyl)amino]pyridazine-3-carboxylate;ethyl 4,6-dichloropyridazine-3-carboxylate is CCOC(=O)c1nnc(Cl)cc1Cl.CCOC(=O)c1nnc(Cl)cc1Nc1cccc(-n2cccn2)n1.
What is the InChIKey of ethyl 6-chloro-4-[(6-pyrazol-1-yl-2-pyridinyl)amino]pyridazine-3-carboxylate;ethyl 4,6-dichloropyridazine-3-carboxylate?
The InChIKey is SFVHGFOPHGVLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN6O2.C7H6Cl2N2O2/c1-2-24-15(23)14-10(9-11(16)20-21-14)18-12-5-3-6-13(19-12)22-8-4-7-17-22;1-2-13-7(12)6-4(8)3-5(9)10-11-6/h3-9H,2H2,1H3,(H,18,19,20);3H,2H2,1H3.
What are the key properties of ethyl 6-chloro-4-[(6-pyrazol-1-yl-2-pyridinyl)amino]pyridazine-3-carboxylate;ethyl 4,6-dichloropyridazine-3-carboxylate?
ethyl 6-chloro-4-[(6-pyrazol-1-yl-2-pyridinyl)amino]pyridazine-3-carboxylate;ethyl 4,6-dichloropyridazine-3-carboxylate has a molecular weight of 565.81 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-chloro-4-[(6-pyrazol-1-yl-2-pyridinyl)amino]pyridazine-3-carboxylate;ethyl 4,6-dichloropyridazine-3-carboxylate is sourced from PubChem (CID 160823327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).