3-bromobenzoyl chloride;3-bromo-N-[6-[3-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;6-[3-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine

C48H39Br2ClF6N14O4 — CID 159985250

About 3-bromobenzoyl chloride;3-bromo-N-[6-[3-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;6-[3-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine

3-bromobenzoyl chloride;3-bromo-N-[6-[3-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;6-[3-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine (PubChem CID 159985250) has the molecular formula C48H39Br2ClF6N14O4 and a molecular weight of 1185.18 g/mol. Its IUPAC name is 3-bromobenzoyl chloride;3-bromo-N-[6-[3-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;6-[3-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine.

Molecular Properties

• Compound Name: 3-bromobenzoyl chloride;3-bromo-N-[6-[3-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;6-[3-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine
• PubChem CID: 159985250
• Molecular Formula: C48H39Br2ClF6N14O4
• Molecular Weight: 1185.18 g/mol
• Exact Mass: 1182.12
• IUPAC Name: 3-bromobenzoyl chloride;3-bromo-N-[6-[3-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;6-[3-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine
• SMILES: Nc1ccc(-n2nc(-c3ccc(N4CCOCC4)nc3)cc2C(F)(F)F)nn1.O=C(Cl)c1cccc(Br)c1.O=C(Nc1ccc(-n2nc(-c3ccc(N4CCOCC4)nc3)cc2C(F)(F)F)nn1)c1cccc(Br)c1
• InChI: InChI=1S/C24H19BrF3N7O2.C17H16F3N7O.C7H4BrClO/c25-17-3-1-2-15(12-17)23(36)30-20-5-7-22(32-31-20)35-19(24(26,27)28)13-18(33-35)16-4-6-21(29-14-16)34-8-10-37-11-9-34;18-17(19,20)13-9-12(25-27(13)16-4-2-14(21)23-24-16)11-1-3-15(22-10-11)26-5-7-28-8-6-26;8-6-3-1-2-5(4-6)7(9)10/h1-7,12-14H,8-11H2,(H,30,31,36);1-4,9-10H,5-8H2,(H2,21,23);1-4H
• InChIKey: OGGDZNOMDCRPDT-UHFFFAOYSA-N
• XLogP: 9.58
• TPSA: 210.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 17
• Rotatable Bonds: 9
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1185.18
LogP ≤ 5	9.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-bromobenzoyl chloride;3-bromo-N-[6-[3-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;6-[3-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine?

The IUPAC name of 3-bromobenzoyl chloride;3-bromo-N-[6-[3-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;6-[3-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine (CID 159985250) is 3-bromobenzoyl chloride;3-bromo-N-[6-[3-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;6-[3-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine.

What is the SMILES notation for 3-bromobenzoyl chloride;3-bromo-N-[6-[3-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;6-[3-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine?

The canonical SMILES for 3-bromobenzoyl chloride;3-bromo-N-[6-[3-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;6-[3-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine is Nc1ccc(-n2nc(-c3ccc(N4CCOCC4)nc3)cc2C(F)(F)F)nn1.O=C(Cl)c1cccc(Br)c1.O=C(Nc1ccc(-n2nc(-c3ccc(N4CCOCC4)nc3)cc2C(F)(F)F)nn1)c1cccc(Br)c1.

What is the InChIKey of 3-bromobenzoyl chloride;3-bromo-N-[6-[3-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;6-[3-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine?

The InChIKey is OGGDZNOMDCRPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19BrF3N7O2.C17H16F3N7O.C7H4BrClO/c25-17-3-1-2-15(12-17)23(36)30-20-5-7-22(32-31-20)35-19(24(26,27)28)13-18(33-35)16-4-6-21(29-14-16)34-8-10-37-11-9-34;18-17(19,20)13-9-12(25-27(13)16-4-2-14(21)23-24-16)11-1-3-15(22-10-11)26-5-7-28-8-6-26;8-6-3-1-2-5(4-6)7(9)10/h1-7,12-14H,8-11H2,(H,30,31,36);1-4,9-10H,5-8H2,(H2,21,23);1-4H.

What are the key properties of 3-bromobenzoyl chloride;3-bromo-N-[6-[3-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;6-[3-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine?

3-bromobenzoyl chloride;3-bromo-N-[6-[3-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;6-[3-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine has a molecular weight of 1185.18 g/mol, XLogP of 9.58, 9 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromobenzoyl chloride;3-bromo-N-[6-[3-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;6-[3-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine is sourced from PubChem (CID 159985250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).