1-(3aH-pyrazolo[1,5-a]pyrimidin-8-ium-3-ylmethyl)-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-(6-chloroimidazo[1,2-a]pyridin-3-yl)sulfonyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-(imidazo[1,2-a]pyrimidin-3-ylmethyl)-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;6-(1-methylpyrazol-4-yl)-1-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]sulfonylpyrazolo[4,5-b]pyridine;3-[[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-6-(trifluoromethyl)imidazo[1,2-b]pyridazine

C107H84Cl2F3N48O4S2+ — CID 159187368

About 1-(3aH-pyrazolo[1,5-a]pyrimidin-8-ium-3-ylmethyl)-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-(6-chloroimidazo[1,2-a]pyridin-3-yl)sulfonyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-(imidazo[1,2-a]pyrimidin-3-ylmethyl)-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;6-(1-methylpyrazol-4-yl)-1-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]sulfonylpyrazolo[4,5-b]pyridine;3-[[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-6-(trifluoromethyl)imidazo[1,2-b]pyridazine

1-(3aH-pyrazolo[1,5-a]pyrimidin-8-ium-3-ylmethyl)-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-(6-chloroimidazo[1,2-a]pyridin-3-yl)sulfonyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-(imidazo[1,2-a]pyrimidin-3-ylmethyl)-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;6-(1-methylpyrazol-4-yl)-1-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]sulfonylpyrazolo[4,5-b]pyridine;3-[[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-6-(trifluoromethyl)imidazo[1,2-b]pyridazine (PubChem CID 159187368) has the molecular formula C107H84Cl2F3N48O4S2+ and a molecular weight of 2298.21 g/mol. Its IUPAC name is 1-(3aH-pyrazolo[1,5-a]pyrimidin-8-ium-3-ylmethyl)-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-(6-chloroimidazo[1,2-a]pyridin-3-yl)sulfonyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-(imidazo[1,2-a]pyrimidin-3-ylmethyl)-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;6-(1-methylpyrazol-4-yl)-1-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]sulfonylpyrazolo[4,5-b]pyridine;3-[[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-6-(trifluoromethyl)imidazo[1,2-b]pyridazine.

Molecular Properties

• Compound Name: 1-(3aH-pyrazolo[1,5-a]pyrimidin-8-ium-3-ylmethyl)-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-(6-chloroimidazo[1,2-a]pyridin-3-yl)sulfonyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-(imidazo[1,2-a]pyrimidin-3-ylmethyl)-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;6-(1-methylpyrazol-4-yl)-1-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]sulfonylpyrazolo[4,5-b]pyridine;3-[[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-6-(trifluoromethyl)imidazo[1,2-b]pyridazine
• PubChem CID: 159187368
• Molecular Formula: C107H84Cl2F3N48O4S2+
• Molecular Weight: 2298.21 g/mol
• Exact Mass: 2295.66
• IUPAC Name: 1-(3aH-pyrazolo[1,5-a]pyrimidin-8-ium-3-ylmethyl)-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-(6-chloroimidazo[1,2-a]pyridin-3-yl)sulfonyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-(imidazo[1,2-a]pyrimidin-3-ylmethyl)-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;6-(1-methylpyrazol-4-yl)-1-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]sulfonylpyrazolo[4,5-b]pyridine;3-[[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-6-(trifluoromethyl)imidazo[1,2-b]pyridazine
• SMILES: Cn1cc(-c2cnc3cnn(CC4=CN=[N+]5C=CC=NC45)c3c2)cn1.Cn1cc(-c2cnc3cnn(Cc4cnc5ccc(C(F)(F)F)nn45)c3c2)cn1.Cn1cc(-c2cnc3cnn(Cc4cnc5ccc(Cl)nn45)c3c2)cn1.Cn1cc(-c2cnc3cnn(Cc4cnc5ncccn45)c3c2)cn1.Cn1cc(-c2cnc3cnn(S(=O)(=O)c4cnc5ccc(-c6cnn(C)c6)cn45)c3c2)cn1.Cn1cc(-c2cnc3cnn(S(=O)(=O)c4cnc5ccc(Cl)cn45)c3c2)cn1
• InChI: InChI=1S/C21H17N9O2S.C18H13F3N8.C17H13ClN8.C17H12ClN7O2S.C17H14N8.C17H15N8/c1-27-11-16(7-24-27)14-3-4-20-23-10-21(29(20)13-14)33(31,32)30-19-5-15(6-22-18(19)9-26-30)17-8-25-28(2)12-17;1-27-9-12(6-24-27)11-4-15-14(22-5-11)8-25-28(15)10-13-7-23-17-3-2-16(18(19,20)21)26-29(13)17;1-24-9-12(6-21-24)11-4-15-14(19-5-11)8-22-25(15)10-13-7-20-17-3-2-16(18)23-26(13)17;1-23-9-12(6-21-23)11-4-15-14(19-5-11)7-22-25(15)28(26,27)17-8-20-16-3-2-13(18)10-24(16)17;1-23-10-13(7-21-23)12-5-16-15(19-6-12)9-22-25(16)11-14-8-20-17-18-3-2-4-24(14)17;1-23-10-13(7-20-23)12-5-16-15(19-6-12)9-22-25(16)11-14-8-21-24-4-2-3-18-17(14)24/h3-13H,1-2H3;2-9H,10H2,1H3;2-9H,10H2,1H3;2-10H,1H3;2-10H,11H2,1H3;2-10,17H,11H2,1H3/q;;;;;+1
• InChIKey: OUFDFSBPHBZAMW-UHFFFAOYSA-N
• XLogP: 14.05
• TPSA: 530.18 Ų
• H-Bond Acceptors: 51
• Rotatable Bonds: 19
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2298.21
LogP ≤ 5	14.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	51

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(3aH-pyrazolo[1,5-a]pyrimidin-8-ium-3-ylmethyl)-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-(6-chloroimidazo[1,2-a]pyridin-3-yl)sulfonyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-(imidazo[1,2-a]pyrimidin-3-ylmethyl)-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;6-(1-methylpyrazol-4-yl)-1-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]sulfonylpyrazolo[4,5-b]pyridine;3-[[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-6-(trifluoromethyl)imidazo[1,2-b]pyridazine?

The IUPAC name of 1-(3aH-pyrazolo[1,5-a]pyrimidin-8-ium-3-ylmethyl)-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-(6-chloroimidazo[1,2-a]pyridin-3-yl)sulfonyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-(imidazo[1,2-a]pyrimidin-3-ylmethyl)-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;6-(1-methylpyrazol-4-yl)-1-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]sulfonylpyrazolo[4,5-b]pyridine;3-[[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-6-(trifluoromethyl)imidazo[1,2-b]pyridazine (CID 159187368) is 1-(3aH-pyrazolo[1,5-a]pyrimidin-8-ium-3-ylmethyl)-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-(6-chloroimidazo[1,2-a]pyridin-3-yl)sulfonyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-(imidazo[1,2-a]pyrimidin-3-ylmethyl)-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;6-(1-methylpyrazol-4-yl)-1-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]sulfonylpyrazolo[4,5-b]pyridine;3-[[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-6-(trifluoromethyl)imidazo[1,2-b]pyridazine.

What is the SMILES notation for 1-(3aH-pyrazolo[1,5-a]pyrimidin-8-ium-3-ylmethyl)-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-(6-chloroimidazo[1,2-a]pyridin-3-yl)sulfonyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-(imidazo[1,2-a]pyrimidin-3-ylmethyl)-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;6-(1-methylpyrazol-4-yl)-1-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]sulfonylpyrazolo[4,5-b]pyridine;3-[[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-6-(trifluoromethyl)imidazo[1,2-b]pyridazine?

The canonical SMILES for 1-(3aH-pyrazolo[1,5-a]pyrimidin-8-ium-3-ylmethyl)-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-(6-chloroimidazo[1,2-a]pyridin-3-yl)sulfonyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-(imidazo[1,2-a]pyrimidin-3-ylmethyl)-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;6-(1-methylpyrazol-4-yl)-1-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]sulfonylpyrazolo[4,5-b]pyridine;3-[[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-6-(trifluoromethyl)imidazo[1,2-b]pyridazine is Cn1cc(-c2cnc3cnn(CC4=CN=[N+]5C=CC=NC45)c3c2)cn1.Cn1cc(-c2cnc3cnn(Cc4cnc5ccc(C(F)(F)F)nn45)c3c2)cn1.Cn1cc(-c2cnc3cnn(Cc4cnc5ccc(Cl)nn45)c3c2)cn1.Cn1cc(-c2cnc3cnn(Cc4cnc5ncccn45)c3c2)cn1.Cn1cc(-c2cnc3cnn(S(=O)(=O)c4cnc5ccc(-c6cnn(C)c6)cn45)c3c2)cn1.Cn1cc(-c2cnc3cnn(S(=O)(=O)c4cnc5ccc(Cl)cn45)c3c2)cn1.

What is the InChIKey of 1-(3aH-pyrazolo[1,5-a]pyrimidin-8-ium-3-ylmethyl)-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-(6-chloroimidazo[1,2-a]pyridin-3-yl)sulfonyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-(imidazo[1,2-a]pyrimidin-3-ylmethyl)-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;6-(1-methylpyrazol-4-yl)-1-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]sulfonylpyrazolo[4,5-b]pyridine;3-[[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-6-(trifluoromethyl)imidazo[1,2-b]pyridazine?

The InChIKey is OUFDFSBPHBZAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N9O2S.C18H13F3N8.C17H13ClN8.C17H12ClN7O2S.C17H14N8.C17H15N8/c1-27-11-16(7-24-27)14-3-4-20-23-10-21(29(20)13-14)33(31,32)30-19-5-15(6-22-18(19)9-26-30)17-8-25-28(2)12-17;1-27-9-12(6-24-27)11-4-15-14(22-5-11)8-25-28(15)10-13-7-23-17-3-2-16(18(19,20)21)26-29(13)17;1-24-9-12(6-21-24)11-4-15-14(19-5-11)8-22-25(15)10-13-7-20-17-3-2-16(18)23-26(13)17;1-23-9-12(6-21-23)11-4-15-14(19-5-11)7-22-25(15)28(26,27)17-8-20-16-3-2-13(18)10-24(16)17;1-23-10-13(7-21-23)12-5-16-15(19-6-12)9-22-25(16)11-14-8-20-17-18-3-2-4-24(14)17;1-23-10-13(7-20-23)12-5-16-15(19-6-12)9-22-25(16)11-14-8-21-24-4-2-3-18-17(14)24/h3-13H,1-2H3;2-9H,10H2,1H3;2-9H,10H2,1H3;2-10H,1H3;2-10H,11H2,1H3;2-10,17H,11H2,1H3/q;;;;;+1.

What are the key properties of 1-(3aH-pyrazolo[1,5-a]pyrimidin-8-ium-3-ylmethyl)-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-(6-chloroimidazo[1,2-a]pyridin-3-yl)sulfonyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-(imidazo[1,2-a]pyrimidin-3-ylmethyl)-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;6-(1-methylpyrazol-4-yl)-1-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]sulfonylpyrazolo[4,5-b]pyridine;3-[[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-6-(trifluoromethyl)imidazo[1,2-b]pyridazine?

1-(3aH-pyrazolo[1,5-a]pyrimidin-8-ium-3-ylmethyl)-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-(6-chloroimidazo[1,2-a]pyridin-3-yl)sulfonyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-(imidazo[1,2-a]pyrimidin-3-ylmethyl)-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;6-(1-methylpyrazol-4-yl)-1-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]sulfonylpyrazolo[4,5-b]pyridine;3-[[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-6-(trifluoromethyl)imidazo[1,2-b]pyridazine has a molecular weight of 2298.21 g/mol, XLogP of 14.05, 19 rotatable bonds, 0 hydrogen bond donors, and 51 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3aH-pyrazolo[1,5-a]pyrimidin-8-ium-3-ylmethyl)-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-(6-chloroimidazo[1,2-a]pyridin-3-yl)sulfonyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-(imidazo[1,2-a]pyrimidin-3-ylmethyl)-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;6-(1-methylpyrazol-4-yl)-1-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]sulfonylpyrazolo[4,5-b]pyridine;3-[[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-6-(trifluoromethyl)imidazo[1,2-b]pyridazine is sourced from PubChem (CID 159187368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).