5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[(3R)-3-(4-chlorophenyl)-3-hydroxypropyl]-2-methylpyridine-3-carboxamide

C₂₄H₂₃ClN₆O₃ — CID 155074311

About 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[(3R)-3-(4-chlorophenyl)-3-hydroxypropyl]-2-methylpyridine-3-carboxamide

5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[(3R)-3-(4-chlorophenyl)-3-hydroxypropyl]-2-methylpyridine-3-carboxamide (PubChem CID 155074311) has the molecular formula C₂₄H₂₃ClN₆O₃ and a molecular weight of 478.94 g/mol. Its IUPAC name is 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[(3R)-3-(4-chlorophenyl)-3-hydroxypropyl]-2-methylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[(3R)-3-(4-chlorophenyl)-3-hydroxypropyl]-2-methylpyridine-3-carboxamide
• PubChem CID: 155074311
• Molecular Formula: C₂₄H₂₃ClN₆O₃
• Molecular Weight: 478.94 g/mol
• Exact Mass: 478.15
• IUPAC Name: 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[(3R)-3-(4-chlorophenyl)-3-hydroxypropyl]-2-methylpyridine-3-carboxamide
• SMILES: CC(=O)Nc1cn2nc(-c3cnc(C)c(C(=O)NCC[C@@H](O)c4ccc(Cl)cc4)c3)ccc2n1
• InChI: InChI=1S/C24H23ClN6O3/c1-14-19(24(34)26-10-9-21(33)16-3-5-18(25)6-4-16)11-17(12-27-14)20-7-8-23-29-22(28-15(2)32)13-31(23)30-20/h3-8,11-13,21,33H,9-10H2,1-2H3,(H,26,34)(H,28,32)/t21-/m1/s1
• InChIKey: KALGXOYBHUNCPS-OAQYLSRUSA-N
• XLogP: 3.57
• TPSA: 121.51 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.94
LogP ≤ 5	3.57
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[(3R)-3-(4-chlorophenyl)-3-hydroxypropyl]-2-methylpyridine-3-carboxamide?

The IUPAC name of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[(3R)-3-(4-chlorophenyl)-3-hydroxypropyl]-2-methylpyridine-3-carboxamide (CID 155074311) is 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[(3R)-3-(4-chlorophenyl)-3-hydroxypropyl]-2-methylpyridine-3-carboxamide.

What is the SMILES notation for 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[(3R)-3-(4-chlorophenyl)-3-hydroxypropyl]-2-methylpyridine-3-carboxamide?

The canonical SMILES for 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[(3R)-3-(4-chlorophenyl)-3-hydroxypropyl]-2-methylpyridine-3-carboxamide is CC(=O)Nc1cn2nc(-c3cnc(C)c(C(=O)NCC[C@@H](O)c4ccc(Cl)cc4)c3)ccc2n1.

What is the InChIKey of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[(3R)-3-(4-chlorophenyl)-3-hydroxypropyl]-2-methylpyridine-3-carboxamide?

The InChIKey is KALGXOYBHUNCPS-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H23ClN6O3/c1-14-19(24(34)26-10-9-21(33)16-3-5-18(25)6-4-16)11-17(12-27-14)20-7-8-23-29-22(28-15(2)32)13-31(23)30-20/h3-8,11-13,21,33H,9-10H2,1-2H3,(H,26,34)(H,28,32)/t21-/m1/s1.

What are the key properties of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[(3R)-3-(4-chlorophenyl)-3-hydroxypropyl]-2-methylpyridine-3-carboxamide?

5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[(3R)-3-(4-chlorophenyl)-3-hydroxypropyl]-2-methylpyridine-3-carboxamide has a molecular weight of 478.94 g/mol, XLogP of 3.57, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[(3R)-3-(4-chlorophenyl)-3-hydroxypropyl]-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 155074311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155074311 — identifiers, structure, computed properties (public domain)

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