2-[2-chloro-5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]-N',N'-bis[[2-[2-chloro-5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]phenyl]sulfonylamino]benzenesulfonohydrazide

C51H33Cl3N16O6S3 — CID 156702195

About 2-[2-chloro-5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]-N',N'-bis[[2-[2-chloro-5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]phenyl]sulfonylamino]benzenesulfonohydrazide

2-[2-chloro-5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]-N',N'-bis[[2-[2-chloro-5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]phenyl]sulfonylamino]benzenesulfonohydrazide (PubChem CID 156702195) has the molecular formula C51H33Cl3N16O6S3 and a molecular weight of 1168.49 g/mol. Its IUPAC name is 2-[2-chloro-5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]-N',N'-bis[[2-[2-chloro-5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]phenyl]sulfonylamino]benzenesulfonohydrazide.

Molecular Properties

• Compound Name: 2-[2-chloro-5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]-N',N'-bis[[2-[2-chloro-5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]phenyl]sulfonylamino]benzenesulfonohydrazide
• PubChem CID: 156702195
• Molecular Formula: C51H33Cl3N16O6S3
• Molecular Weight: 1168.49 g/mol
• Exact Mass: 1166.10
• IUPAC Name: 2-[2-chloro-5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]-N',N'-bis[[2-[2-chloro-5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]phenyl]sulfonylamino]benzenesulfonohydrazide
• SMILES: O=S(=O)(NN(NS(=O)(=O)c1ccccc1-c1cc(-c2cnc3[nH]ncc3c2)cnc1Cl)NS(=O)(=O)c1ccccc1-c1cc(-c2cnc3[nH]ncc3c2)cnc1Cl)c1ccccc1-c1cc(-c2cnc3[nH]ncc3c2)cnc1Cl
• InChI: InChI=1S/C51H33Cl3N16O6S3/c52-46-40(16-31(19-55-46)28-13-34-25-61-64-49(34)58-22-28)37-7-1-4-10-43(37)77(71,72)67-70(68-78(73,74)44-11-5-2-8-38(44)41-17-32(20-56-47(41)53)29-14-35-26-62-65-50(35)59-23-29)69-79(75,76)45-12-6-3-9-39(45)42-18-33(21-57-48(42)54)30-15-36-27-63-66-51(36)60-24-30/h1-27,67-69H,(H,58,61,64)(H,59,62,65)(H,60,63,66)
• InChIKey: KVVXRHOWXUVZTC-UHFFFAOYSA-N
• XLogP: 8.93
• TPSA: 305.13 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 16
• Rotatable Bonds: 15
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1168.49
LogP ≤ 5	8.93
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]-N',N'-bis[[2-[2-chloro-5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]phenyl]sulfonylamino]benzenesulfonohydrazide?

The IUPAC name of 2-[2-chloro-5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]-N',N'-bis[[2-[2-chloro-5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]phenyl]sulfonylamino]benzenesulfonohydrazide (CID 156702195) is 2-[2-chloro-5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]-N',N'-bis[[2-[2-chloro-5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]phenyl]sulfonylamino]benzenesulfonohydrazide.

What is the SMILES notation for 2-[2-chloro-5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]-N',N'-bis[[2-[2-chloro-5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]phenyl]sulfonylamino]benzenesulfonohydrazide?

The canonical SMILES for 2-[2-chloro-5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]-N',N'-bis[[2-[2-chloro-5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]phenyl]sulfonylamino]benzenesulfonohydrazide is O=S(=O)(NN(NS(=O)(=O)c1ccccc1-c1cc(-c2cnc3[nH]ncc3c2)cnc1Cl)NS(=O)(=O)c1ccccc1-c1cc(-c2cnc3[nH]ncc3c2)cnc1Cl)c1ccccc1-c1cc(-c2cnc3[nH]ncc3c2)cnc1Cl.

What is the InChIKey of 2-[2-chloro-5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]-N',N'-bis[[2-[2-chloro-5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]phenyl]sulfonylamino]benzenesulfonohydrazide?

The InChIKey is KVVXRHOWXUVZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33Cl3N16O6S3/c52-46-40(16-31(19-55-46)28-13-34-25-61-64-49(34)58-22-28)37-7-1-4-10-43(37)77(71,72)67-70(68-78(73,74)44-11-5-2-8-38(44)41-17-32(20-56-47(41)53)29-14-35-26-62-65-50(35)59-23-29)69-79(75,76)45-12-6-3-9-39(45)42-18-33(21-57-48(42)54)30-15-36-27-63-66-51(36)60-24-30/h1-27,67-69H,(H,58,61,64)(H,59,62,65)(H,60,63,66).

What are the key properties of 2-[2-chloro-5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]-N',N'-bis[[2-[2-chloro-5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]phenyl]sulfonylamino]benzenesulfonohydrazide?

2-[2-chloro-5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]-N',N'-bis[[2-[2-chloro-5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]phenyl]sulfonylamino]benzenesulfonohydrazide has a molecular weight of 1168.49 g/mol, XLogP of 8.93, 15 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-chloro-5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]-N',N'-bis[[2-[2-chloro-5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]phenyl]sulfonylamino]benzenesulfonohydrazide is sourced from PubChem (CID 156702195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).