6-chloro-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine;6-(3H-isoindol-5-yl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole

C54H58BClN14O2 — CID 159027006

About 6-chloro-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine;6-(3H-isoindol-5-yl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole

6-chloro-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine;6-(3H-isoindol-5-yl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole (PubChem CID 159027006) has the molecular formula C54H58BClN14O2 and a molecular weight of 981.42 g/mol. Its IUPAC name is 6-chloro-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine;6-(3H-isoindol-5-yl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole.

Molecular Properties

• Compound Name: 6-chloro-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine;6-(3H-isoindol-5-yl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole
• PubChem CID: 159027006
• Molecular Formula: C54H58BClN14O2
• Molecular Weight: 981.42 g/mol
• Exact Mass: 980.46
• IUPAC Name: 6-chloro-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine;6-(3H-isoindol-5-yl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole
• SMILES: CC1(C)OB(c2ccc3c(c2)CN=C3)OC1(C)C.CC1CCCN1c1cccc(Nc2cc(-c3ccc4c(c3)CN=C4)nn3ccnc23)n1.CC1CCCN1c1cccc(Nc2cc(Cl)nn3ccnc23)n1
• InChI: InChI=1S/C24H23N7.C16H17ClN6.C14H18BNO2/c1-16-4-3-10-30(16)23-6-2-5-22(28-23)27-21-13-20(29-31-11-9-26-24(21)31)17-7-8-18-14-25-15-19(18)12-17;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;1-13(2)14(3,4)18-15(17-13)12-6-5-10-8-16-9-11(10)7-12/h2,5-9,11-14,16H,3-4,10,15H2,1H3,(H,27,28);2,5-7,9-11H,3-4,8H2,1H3,(H,19,20);5-8H,9H2,1-4H3
• InChIKey: JUKCUOIHEPEIEF-UHFFFAOYSA-N
• XLogP: 9.88
• TPSA: 159.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 8
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	981.42
LogP ≤ 5	9.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

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;6-(3H-isoindol-5-yl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole?

The IUPAC name of 6-chloro-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine;6-(3H-isoindol-5-yl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole (CID 159027006) is 6-chloro-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine;6-(3H-isoindol-5-yl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole.

What is the SMILES notation for 6-chloro-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine;6-(3H-isoindol-5-yl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole?

The canonical SMILES for 6-chloro-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine;6-(3H-isoindol-5-yl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole is CC1(C)OB(c2ccc3c(c2)CN=C3)OC1(C)C.CC1CCCN1c1cccc(Nc2cc(-c3ccc4c(c3)CN=C4)nn3ccnc23)n1.CC1CCCN1c1cccc(Nc2cc(Cl)nn3ccnc23)n1.

What is the InChIKey of 6-chloro-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine;6-(3H-isoindol-5-yl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole?

The InChIKey is JUKCUOIHEPEIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7.C16H17ClN6.C14H18BNO2/c1-16-4-3-10-30(16)23-6-2-5-22(28-23)27-21-13-20(29-31-11-9-26-24(21)31)17-7-8-18-14-25-15-19(18)12-17;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;1-13(2)14(3,4)18-15(17-13)12-6-5-10-8-16-9-11(10)7-12/h2,5-9,11-14,16H,3-4,10,15H2,1H3,(H,27,28);2,5-7,9-11H,3-4,8H2,1H3,(H,19,20);5-8H,9H2,1-4H3.

What are the key properties of 6-chloro-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine;6-(3H-isoindol-5-yl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole?

6-chloro-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine;6-(3H-isoindol-5-yl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole has a molecular weight of 981.42 g/mol, XLogP of 9.88, 8 rotatable bonds, 2 hydrogen bond donors, and 16 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;6-(3H-isoindol-5-yl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole is sourced from PubChem (CID 159027006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).