1-(2-ethoxyethyl)-6-oxopyridine-3-carbonyl chloride;1-(2-ethoxyethyl)-6-oxopyridine-3-carboxylic acid;1-(2-ethoxyethyl)-6-oxo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]pyridine-3-carboxamide;6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine

C56H54ClF6N15O10 — CID 160758601

About 1-(2-ethoxyethyl)-6-oxopyridine-3-carbonyl chloride;1-(2-ethoxyethyl)-6-oxopyridine-3-carboxylic acid;1-(2-ethoxyethyl)-6-oxo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]pyridine-3-carboxamide;6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine

1-(2-ethoxyethyl)-6-oxopyridine-3-carbonyl chloride;1-(2-ethoxyethyl)-6-oxopyridine-3-carboxylic acid;1-(2-ethoxyethyl)-6-oxo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]pyridine-3-carboxamide;6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine (PubChem CID 160758601) has the molecular formula C56H54ClF6N15O10 and a molecular weight of 1246.58 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-6-oxopyridine-3-carbonyl chloride;1-(2-ethoxyethyl)-6-oxopyridine-3-carboxylic acid;1-(2-ethoxyethyl)-6-oxo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]pyridine-3-carboxamide;6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine.

Molecular Properties

• Compound Name: 1-(2-ethoxyethyl)-6-oxopyridine-3-carbonyl chloride;1-(2-ethoxyethyl)-6-oxopyridine-3-carboxylic acid;1-(2-ethoxyethyl)-6-oxo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]pyridine-3-carboxamide;6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine
• PubChem CID: 160758601
• Molecular Formula: C56H54ClF6N15O10
• Molecular Weight: 1246.58 g/mol
• Exact Mass: 1245.38
• IUPAC Name: 1-(2-ethoxyethyl)-6-oxopyridine-3-carbonyl chloride;1-(2-ethoxyethyl)-6-oxopyridine-3-carboxylic acid;1-(2-ethoxyethyl)-6-oxo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]pyridine-3-carboxamide;6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine
• SMILES: CCOCCn1cc(C(=O)Cl)ccc1=O.CCOCCn1cc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)nn2)ccc1=O.CCOCCn1cc(C(=O)O)ccc1=O.Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nn1
• InChI: InChI=1S/C23H20F3N7O3.C13H9F3N6.C10H12ClNO3.C10H13NO4/c1-2-36-11-10-32-14-16(5-8-21(32)34)22(35)28-19-6-7-20(30-29-19)33-18(23(24,25)26)12-17(31-33)15-4-3-9-27-13-15;14-13(15,16)10-6-9(8-2-1-5-18-7-8)21-22(10)12-4-3-11(17)19-20-12;1-2-15-6-5-12-7-8(10(11)14)3-4-9(12)13;1-2-15-6-5-11-7-8(10(13)14)3-4-9(11)12/h3-9,12-14H,2,10-11H2,1H3,(H,28,29,35);1-7H,(H2,17,19);3-4,7H,2,5-6H2,1H3;3-4,7H,2,5-6H2,1H3,(H,13,14)
• InChIKey: RXTHTIRRSKQKRD-UHFFFAOYSA-N
• XLogP: 7.37
• TPSA: 316.16 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 23
• Rotatable Bonds: 20
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1246.58
LogP ≤ 5	7.37
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-6-oxopyridine-3-carbonyl chloride;1-(2-ethoxyethyl)-6-oxopyridine-3-carboxylic acid;1-(2-ethoxyethyl)-6-oxo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]pyridine-3-carboxamide;6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine?

The IUPAC name of 1-(2-ethoxyethyl)-6-oxopyridine-3-carbonyl chloride;1-(2-ethoxyethyl)-6-oxopyridine-3-carboxylic acid;1-(2-ethoxyethyl)-6-oxo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]pyridine-3-carboxamide;6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine (CID 160758601) is 1-(2-ethoxyethyl)-6-oxopyridine-3-carbonyl chloride;1-(2-ethoxyethyl)-6-oxopyridine-3-carboxylic acid;1-(2-ethoxyethyl)-6-oxo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]pyridine-3-carboxamide;6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine.

What is the SMILES notation for 1-(2-ethoxyethyl)-6-oxopyridine-3-carbonyl chloride;1-(2-ethoxyethyl)-6-oxopyridine-3-carboxylic acid;1-(2-ethoxyethyl)-6-oxo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]pyridine-3-carboxamide;6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine?

The canonical SMILES for 1-(2-ethoxyethyl)-6-oxopyridine-3-carbonyl chloride;1-(2-ethoxyethyl)-6-oxopyridine-3-carboxylic acid;1-(2-ethoxyethyl)-6-oxo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]pyridine-3-carboxamide;6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine is CCOCCn1cc(C(=O)Cl)ccc1=O.CCOCCn1cc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)nn2)ccc1=O.CCOCCn1cc(C(=O)O)ccc1=O.Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nn1.

What is the InChIKey of 1-(2-ethoxyethyl)-6-oxopyridine-3-carbonyl chloride;1-(2-ethoxyethyl)-6-oxopyridine-3-carboxylic acid;1-(2-ethoxyethyl)-6-oxo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]pyridine-3-carboxamide;6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine?

The InChIKey is RXTHTIRRSKQKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N7O3.C13H9F3N6.C10H12ClNO3.C10H13NO4/c1-2-36-11-10-32-14-16(5-8-21(32)34)22(35)28-19-6-7-20(30-29-19)33-18(23(24,25)26)12-17(31-33)15-4-3-9-27-13-15;14-13(15,16)10-6-9(8-2-1-5-18-7-8)21-22(10)12-4-3-11(17)19-20-12;1-2-15-6-5-12-7-8(10(11)14)3-4-9(12)13;1-2-15-6-5-11-7-8(10(13)14)3-4-9(11)12/h3-9,12-14H,2,10-11H2,1H3,(H,28,29,35);1-7H,(H2,17,19);3-4,7H,2,5-6H2,1H3;3-4,7H,2,5-6H2,1H3,(H,13,14).

What are the key properties of 1-(2-ethoxyethyl)-6-oxopyridine-3-carbonyl chloride;1-(2-ethoxyethyl)-6-oxopyridine-3-carboxylic acid;1-(2-ethoxyethyl)-6-oxo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]pyridine-3-carboxamide;6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine?

1-(2-ethoxyethyl)-6-oxopyridine-3-carbonyl chloride;1-(2-ethoxyethyl)-6-oxopyridine-3-carboxylic acid;1-(2-ethoxyethyl)-6-oxo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]pyridine-3-carboxamide;6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine has a molecular weight of 1246.58 g/mol, XLogP of 7.37, 20 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-ethoxyethyl)-6-oxopyridine-3-carbonyl chloride;1-(2-ethoxyethyl)-6-oxopyridine-3-carboxylic acid;1-(2-ethoxyethyl)-6-oxo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]pyridine-3-carboxamide;6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine is sourced from PubChem (CID 160758601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).