6-chloro-8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]methyl]imidazo[1,2-b]pyridazine;(2-methylphenyl)boronic acid;6-(2-methylphenyl)-8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]methyl]imidazo[1,2-b]pyridazine

C48H52BClN10O2 — CID 158686358

About 6-chloro-8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]methyl]imidazo[1,2-b]pyridazine;(2-methylphenyl)boronic acid;6-(2-methylphenyl)-8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]methyl]imidazo[1,2-b]pyridazine

6-chloro-8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]methyl]imidazo[1,2-b]pyridazine;(2-methylphenyl)boronic acid;6-(2-methylphenyl)-8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]methyl]imidazo[1,2-b]pyridazine (PubChem CID 158686358) has the molecular formula C48H52BClN10O2 and a molecular weight of 847.28 g/mol. Its IUPAC name is 6-chloro-8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]methyl]imidazo[1,2-b]pyridazine;(2-methylphenyl)boronic acid;6-(2-methylphenyl)-8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]methyl]imidazo[1,2-b]pyridazine.

Molecular Properties

• Compound Name: 6-chloro-8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]methyl]imidazo[1,2-b]pyridazine;(2-methylphenyl)boronic acid;6-(2-methylphenyl)-8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]methyl]imidazo[1,2-b]pyridazine
• PubChem CID: 158686358
• Molecular Formula: C48H52BClN10O2
• Molecular Weight: 847.28 g/mol
• Exact Mass: 846.41
• IUPAC Name: 6-chloro-8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]methyl]imidazo[1,2-b]pyridazine;(2-methylphenyl)boronic acid;6-(2-methylphenyl)-8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]methyl]imidazo[1,2-b]pyridazine
• SMILES: CC1CCCN1c1cccc(Cc2cc(Cl)nn3ccnc23)n1.Cc1ccccc1-c1cc(Cc2cccc(N3CCCC3C)n2)c2nccn2n1.Cc1ccccc1B(O)O
• InChI: InChI=1S/C24H25N5.C17H18ClN5.C7H9BO2/c1-17-7-3-4-10-21(17)22-16-19(24-25-12-14-29(24)27-22)15-20-9-5-11-23(26-20)28-13-6-8-18(28)2;1-12-4-3-8-22(12)16-6-2-5-14(20-16)10-13-11-15(18)21-23-9-7-19-17(13)23;1-6-4-2-3-5-7(6)8(9)10/h3-5,7,9-12,14,16,18H,6,8,13,15H2,1-2H3;2,5-7,9,11-12H,3-4,8,10H2,1H3;2-5,9-10H,1H3
• InChIKey: IFUDUHXIXIBPCQ-UHFFFAOYSA-N
• XLogP: 7.71
• TPSA: 133.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	847.28
LogP ≤ 5	7.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]methyl]imidazo[1,2-b]pyridazine;(2-methylphenyl)boronic acid;6-(2-methylphenyl)-8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]methyl]imidazo[1,2-b]pyridazine?

The IUPAC name of 6-chloro-8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]methyl]imidazo[1,2-b]pyridazine;(2-methylphenyl)boronic acid;6-(2-methylphenyl)-8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]methyl]imidazo[1,2-b]pyridazine (CID 158686358) is 6-chloro-8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]methyl]imidazo[1,2-b]pyridazine;(2-methylphenyl)boronic acid;6-(2-methylphenyl)-8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]methyl]imidazo[1,2-b]pyridazine.

What is the SMILES notation for 6-chloro-8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]methyl]imidazo[1,2-b]pyridazine;(2-methylphenyl)boronic acid;6-(2-methylphenyl)-8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]methyl]imidazo[1,2-b]pyridazine?

The canonical SMILES for 6-chloro-8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]methyl]imidazo[1,2-b]pyridazine;(2-methylphenyl)boronic acid;6-(2-methylphenyl)-8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]methyl]imidazo[1,2-b]pyridazine is CC1CCCN1c1cccc(Cc2cc(Cl)nn3ccnc23)n1.Cc1ccccc1-c1cc(Cc2cccc(N3CCCC3C)n2)c2nccn2n1.Cc1ccccc1B(O)O.

What is the InChIKey of 6-chloro-8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]methyl]imidazo[1,2-b]pyridazine;(2-methylphenyl)boronic acid;6-(2-methylphenyl)-8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]methyl]imidazo[1,2-b]pyridazine?

The InChIKey is IFUDUHXIXIBPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5.C17H18ClN5.C7H9BO2/c1-17-7-3-4-10-21(17)22-16-19(24-25-12-14-29(24)27-22)15-20-9-5-11-23(26-20)28-13-6-8-18(28)2;1-12-4-3-8-22(12)16-6-2-5-14(20-16)10-13-11-15(18)21-23-9-7-19-17(13)23;1-6-4-2-3-5-7(6)8(9)10/h3-5,7,9-12,14,16,18H,6,8,13,15H2,1-2H3;2,5-7,9,11-12H,3-4,8,10H2,1H3;2-5,9-10H,1H3.

What are the key properties of 6-chloro-8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]methyl]imidazo[1,2-b]pyridazine;(2-methylphenyl)boronic acid;6-(2-methylphenyl)-8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]methyl]imidazo[1,2-b]pyridazine?

6-chloro-8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]methyl]imidazo[1,2-b]pyridazine;(2-methylphenyl)boronic acid;6-(2-methylphenyl)-8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]methyl]imidazo[1,2-b]pyridazine has a molecular weight of 847.28 g/mol, XLogP of 7.71, 8 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]methyl]imidazo[1,2-b]pyridazine;(2-methylphenyl)boronic acid;6-(2-methylphenyl)-8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]methyl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 158686358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).