6-chloro-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine;N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-phenylimidazo[1,2-b]pyridazin-8-amine;phenylboronic acid

C44H46BClN12O2 — CID 159288046

About 6-chloro-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine;N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-phenylimidazo[1,2-b]pyridazin-8-amine;phenylboronic acid

6-chloro-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine;N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-phenylimidazo[1,2-b]pyridazin-8-amine;phenylboronic acid (PubChem CID 159288046) has the molecular formula C44H46BClN12O2 and a molecular weight of 821.20 g/mol. Its IUPAC name is 6-chloro-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine;N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-phenylimidazo[1,2-b]pyridazin-8-amine;phenylboronic acid.

Molecular Properties

• Compound Name: 6-chloro-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine;N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-phenylimidazo[1,2-b]pyridazin-8-amine;phenylboronic acid
• PubChem CID: 159288046
• Molecular Formula: C44H46BClN12O2
• Molecular Weight: 821.20 g/mol
• Exact Mass: 820.36
• IUPAC Name: 6-chloro-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine;N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-phenylimidazo[1,2-b]pyridazin-8-amine;phenylboronic acid
• SMILES: CC1CCCN1c1cccc(Nc2cc(-c3ccccc3)nn3ccnc23)n1.CC1CCCN1c1cccc(Nc2cc(Cl)nn3ccnc23)n1.OB(O)c1ccccc1
• InChI: InChI=1S/C22H22N6.C16H17ClN6.C6H7BO2/c1-16-7-6-13-27(16)21-11-5-10-20(25-21)24-19-15-18(17-8-3-2-4-9-17)26-28-14-12-23-22(19)28;1-11-4-3-8-22(11)15-6-2-5-14(20-15)19-12-10-13(17)21-23-9-7-18-16(12)23;8-7(9)6-4-2-1-3-5-6/h2-5,8-12,14-16H,6-7,13H2,1H3,(H,24,25);2,5-7,9-11H,3-4,8H2,1H3,(H,19,20);1-5,8-9H
• InChIKey: KZTJWLYZNKAOII-UHFFFAOYSA-N
• XLogP: 7.40
• TPSA: 157.16 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 8
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	821.20
LogP ≤ 5	7.40
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine;N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-phenylimidazo[1,2-b]pyridazin-8-amine;phenylboronic acid?

The IUPAC name of 6-chloro-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine;N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-phenylimidazo[1,2-b]pyridazin-8-amine;phenylboronic acid (CID 159288046) is 6-chloro-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine;N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-phenylimidazo[1,2-b]pyridazin-8-amine;phenylboronic acid.

What is the SMILES notation for 6-chloro-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine;N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-phenylimidazo[1,2-b]pyridazin-8-amine;phenylboronic acid?

The canonical SMILES for 6-chloro-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine;N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-phenylimidazo[1,2-b]pyridazin-8-amine;phenylboronic acid is CC1CCCN1c1cccc(Nc2cc(-c3ccccc3)nn3ccnc23)n1.CC1CCCN1c1cccc(Nc2cc(Cl)nn3ccnc23)n1.OB(O)c1ccccc1.

What is the InChIKey of 6-chloro-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine;N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-phenylimidazo[1,2-b]pyridazin-8-amine;phenylboronic acid?

The InChIKey is KZTJWLYZNKAOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6.C16H17ClN6.C6H7BO2/c1-16-7-6-13-27(16)21-11-5-10-20(25-21)24-19-15-18(17-8-3-2-4-9-17)26-28-14-12-23-22(19)28;1-11-4-3-8-22(11)15-6-2-5-14(20-15)19-12-10-13(17)21-23-9-7-18-16(12)23;8-7(9)6-4-2-1-3-5-6/h2-5,8-12,14-16H,6-7,13H2,1H3,(H,24,25);2,5-7,9-11H,3-4,8H2,1H3,(H,19,20);1-5,8-9H.

What are the key properties of 6-chloro-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine;N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-phenylimidazo[1,2-b]pyridazin-8-amine;phenylboronic acid?

6-chloro-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine;N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-phenylimidazo[1,2-b]pyridazin-8-amine;phenylboronic acid has a molecular weight of 821.20 g/mol, XLogP of 7.40, 8 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine;N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-phenylimidazo[1,2-b]pyridazin-8-amine;phenylboronic acid is sourced from PubChem (CID 159288046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).