6-[1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]imidazo[1,2-b]pyridazin-2-amine;N-[6-[1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;cyclopropanecarbonyl chloride

C₃₆H₃₃Br₂ClN₁₄O₂ — CID 159388307

About 6-[1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]imidazo[1,2-b]pyridazin-2-amine;N-[6-[1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;cyclopropanecarbonyl chloride

6-[1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]imidazo[1,2-b]pyridazin-2-amine;N-[6-[1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;cyclopropanecarbonyl chloride (PubChem CID 159388307) has the molecular formula C₃₆H₃₃Br₂ClN₁₄O₂ and a molecular weight of 889.02 g/mol. Its IUPAC name is 6-[1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]imidazo[1,2-b]pyridazin-2-amine;N-[6-[1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;cyclopropanecarbonyl chloride.

Molecular Properties

• Compound Name: 6-[1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]imidazo[1,2-b]pyridazin-2-amine;N-[6-[1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;cyclopropanecarbonyl chloride
• PubChem CID: 159388307
• Molecular Formula: C₃₆H₃₃Br₂ClN₁₄O₂
• Molecular Weight: 889.02 g/mol
• Exact Mass: 886.10
• IUPAC Name: 6-[1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]imidazo[1,2-b]pyridazin-2-amine;N-[6-[1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;cyclopropanecarbonyl chloride
• SMILES: CC(c1ccc2nc(N)cn2n1)c1nnc2ccc(Br)cn12.CC(c1ccc2nc(NC(=O)C3CC3)cn2n1)c1nnc2ccc(Br)cn12.O=C(Cl)C1CC1
• InChI: InChI=1S/C18H16BrN7O.C14H12BrN7.C4H5ClO/c1-10(17-23-22-16-6-4-12(19)8-25(16)17)13-5-7-15-20-14(9-26(15)24-13)21-18(27)11-2-3-11;1-8(10-3-5-12-17-11(16)7-22(12)20-10)14-19-18-13-4-2-9(15)6-21(13)14;5-4(6)3-1-2-3/h4-11H,2-3H2,1H3,(H,21,27);2-8H,16H2,1H3;3H,1-2H2
• InChIKey: LLUBLDYYYDTORP-UHFFFAOYSA-N
• XLogP: 6.47
• TPSA: 192.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 7
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	889.02
LogP ≤ 5	6.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]imidazo[1,2-b]pyridazin-2-amine;N-[6-[1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;cyclopropanecarbonyl chloride?

The IUPAC name of 6-[1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]imidazo[1,2-b]pyridazin-2-amine;N-[6-[1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;cyclopropanecarbonyl chloride (CID 159388307) is 6-[1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]imidazo[1,2-b]pyridazin-2-amine;N-[6-[1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;cyclopropanecarbonyl chloride.

What is the SMILES notation for 6-[1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]imidazo[1,2-b]pyridazin-2-amine;N-[6-[1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;cyclopropanecarbonyl chloride?

The canonical SMILES for 6-[1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]imidazo[1,2-b]pyridazin-2-amine;N-[6-[1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;cyclopropanecarbonyl chloride is CC(c1ccc2nc(N)cn2n1)c1nnc2ccc(Br)cn12.CC(c1ccc2nc(NC(=O)C3CC3)cn2n1)c1nnc2ccc(Br)cn12.O=C(Cl)C1CC1.

What is the InChIKey of 6-[1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]imidazo[1,2-b]pyridazin-2-amine;N-[6-[1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;cyclopropanecarbonyl chloride?

The InChIKey is LLUBLDYYYDTORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN7O.C14H12BrN7.C4H5ClO/c1-10(17-23-22-16-6-4-12(19)8-25(16)17)13-5-7-15-20-14(9-26(15)24-13)21-18(27)11-2-3-11;1-8(10-3-5-12-17-11(16)7-22(12)20-10)14-19-18-13-4-2-9(15)6-21(13)14;5-4(6)3-1-2-3/h4-11H,2-3H2,1H3,(H,21,27);2-8H,16H2,1H3;3H,1-2H2.

What are the key properties of 6-[1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]imidazo[1,2-b]pyridazin-2-amine;N-[6-[1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;cyclopropanecarbonyl chloride?

6-[1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]imidazo[1,2-b]pyridazin-2-amine;N-[6-[1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;cyclopropanecarbonyl chloride has a molecular weight of 889.02 g/mol, XLogP of 6.47, 7 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]imidazo[1,2-b]pyridazin-2-amine;N-[6-[1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;cyclopropanecarbonyl chloride is sourced from PubChem (CID 159388307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159388307 — identifiers, structure, computed properties (public domain)

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