6-(6-bromoimidazo[1,2-a]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine;N-[5-(3-pyrazolo[1,5-a]pyrimidin-6-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide;N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzenesulfonamide

C54H46BBrN14O6S2 — CID 162012248

About 6-(6-bromoimidazo[1,2-a]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine;N-[5-(3-pyrazolo[1,5-a]pyrimidin-6-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide;N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzenesulfonamide

6-(6-bromoimidazo[1,2-a]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine;N-[5-(3-pyrazolo[1,5-a]pyrimidin-6-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide;N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzenesulfonamide (PubChem CID 162012248) has the molecular formula C54H46BBrN14O6S2 and a molecular weight of 1141.90 g/mol. Its IUPAC name is 6-(6-bromoimidazo[1,2-a]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine;N-[5-(3-pyrazolo[1,5-a]pyrimidin-6-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide;N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

• Compound Name: 6-(6-bromoimidazo[1,2-a]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine;N-[5-(3-pyrazolo[1,5-a]pyrimidin-6-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide;N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzenesulfonamide
• PubChem CID: 162012248
• Molecular Formula: C54H46BBrN14O6S2
• Molecular Weight: 1141.90 g/mol
• Exact Mass: 1140.24
• IUPAC Name: 6-(6-bromoimidazo[1,2-a]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine;N-[5-(3-pyrazolo[1,5-a]pyrimidin-6-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide;N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzenesulfonamide
• SMILES: Brc1ccc2ncc(-c3cnc4ccnn4c3)n2c1.CC1(C)OB(c2cncc(NS(=O)(=O)c3ccccc3)c2)OC1(C)C.O=S(=O)(Nc1cncc(-c2ccc3ncc(-c4cnc5ccnn5c4)n3c2)c1)c1ccccc1
• InChI: InChI=1S/C24H17N7O2S.C17H21BN2O4S.C13H8BrN5/c32-34(33,21-4-2-1-3-5-21)29-20-10-18(11-25-13-20)17-6-7-23-27-14-22(30(23)15-17)19-12-26-24-8-9-28-31(24)16-19;1-16(2)17(3,4)24-18(23-16)13-10-14(12-19-11-13)20-25(21,22)15-8-6-5-7-9-15;14-10-1-2-12-16-6-11(18(12)8-10)9-5-15-13-3-4-17-19(13)7-9/h1-16,29H;5-12,20H,1-4H3;1-8H
• InChIKey: YTPYZABVSZSXCY-UHFFFAOYSA-N
• XLogP: 8.89
• TPSA: 231.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 10
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1141.90
LogP ≤ 5	8.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(6-bromoimidazo[1,2-a]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine;N-[5-(3-pyrazolo[1,5-a]pyrimidin-6-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide;N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzenesulfonamide?

The IUPAC name of 6-(6-bromoimidazo[1,2-a]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine;N-[5-(3-pyrazolo[1,5-a]pyrimidin-6-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide;N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzenesulfonamide (CID 162012248) is 6-(6-bromoimidazo[1,2-a]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine;N-[5-(3-pyrazolo[1,5-a]pyrimidin-6-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide;N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzenesulfonamide.

What is the SMILES notation for 6-(6-bromoimidazo[1,2-a]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine;N-[5-(3-pyrazolo[1,5-a]pyrimidin-6-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide;N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzenesulfonamide?

The canonical SMILES for 6-(6-bromoimidazo[1,2-a]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine;N-[5-(3-pyrazolo[1,5-a]pyrimidin-6-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide;N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzenesulfonamide is Brc1ccc2ncc(-c3cnc4ccnn4c3)n2c1.CC1(C)OB(c2cncc(NS(=O)(=O)c3ccccc3)c2)OC1(C)C.O=S(=O)(Nc1cncc(-c2ccc3ncc(-c4cnc5ccnn5c4)n3c2)c1)c1ccccc1.

What is the InChIKey of 6-(6-bromoimidazo[1,2-a]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine;N-[5-(3-pyrazolo[1,5-a]pyrimidin-6-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide;N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzenesulfonamide?

The InChIKey is YTPYZABVSZSXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N7O2S.C17H21BN2O4S.C13H8BrN5/c32-34(33,21-4-2-1-3-5-21)29-20-10-18(11-25-13-20)17-6-7-23-27-14-22(30(23)15-17)19-12-26-24-8-9-28-31(24)16-19;1-16(2)17(3,4)24-18(23-16)13-10-14(12-19-11-13)20-25(21,22)15-8-6-5-7-9-15;14-10-1-2-12-16-6-11(18(12)8-10)9-5-15-13-3-4-17-19(13)7-9/h1-16,29H;5-12,20H,1-4H3;1-8H.

What are the key properties of 6-(6-bromoimidazo[1,2-a]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine;N-[5-(3-pyrazolo[1,5-a]pyrimidin-6-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide;N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzenesulfonamide?

6-(6-bromoimidazo[1,2-a]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine;N-[5-(3-pyrazolo[1,5-a]pyrimidin-6-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide;N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzenesulfonamide has a molecular weight of 1141.90 g/mol, XLogP of 8.89, 10 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(6-bromoimidazo[1,2-a]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine;N-[5-(3-pyrazolo[1,5-a]pyrimidin-6-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide;N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 162012248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).