N-(3-bromo-5-phenylpyrazolo[1,5-a]pyridin-7-yl)-4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide

C31H21Br2N7O2S — CID 58604297

About N-(3-bromo-5-phenylpyrazolo[1,5-a]pyridin-7-yl)-4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide

N-(3-bromo-5-phenylpyrazolo[1,5-a]pyridin-7-yl)-4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide (PubChem CID 58604297) has the molecular formula C31H21Br2N7O2S and a molecular weight of 715.43 g/mol. Its IUPAC name is N-(3-bromo-5-phenylpyrazolo[1,5-a]pyridin-7-yl)-4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide.

Molecular Properties

• Compound Name: N-(3-bromo-5-phenylpyrazolo[1,5-a]pyridin-7-yl)-4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide
• PubChem CID: 58604297
• Molecular Formula: C31H21Br2N7O2S
• Molecular Weight: 715.43 g/mol
• Exact Mass: 712.98
• IUPAC Name: N-(3-bromo-5-phenylpyrazolo[1,5-a]pyridin-7-yl)-4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide
• SMILES: O=S(=O)(Nc1cc(-c2ccccc2)cc2c(Br)cnn12)c1ccc(Nc2cc(-c3ccccc3)nc3c(Br)cnn23)cc1
• InChI: InChI=1S/C31H21Br2N7O2S/c32-25-18-34-39-28(25)15-22(20-7-3-1-4-8-20)16-30(39)38-43(41,42)24-13-11-23(12-14-24)36-29-17-27(21-9-5-2-6-10-21)37-31-26(33)19-35-40(29)31/h1-19,36,38H
• InChIKey: VGOWOAXBOOZGTJ-UHFFFAOYSA-N
• XLogP: 7.78
• TPSA: 105.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	715.43
LogP ≤ 5	7.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-phenylpyrazolo[1,5-a]pyridin-7-yl)-4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide?

The IUPAC name of N-(3-bromo-5-phenylpyrazolo[1,5-a]pyridin-7-yl)-4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide (CID 58604297) is N-(3-bromo-5-phenylpyrazolo[1,5-a]pyridin-7-yl)-4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide.

What is the SMILES notation for N-(3-bromo-5-phenylpyrazolo[1,5-a]pyridin-7-yl)-4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide?

The canonical SMILES for N-(3-bromo-5-phenylpyrazolo[1,5-a]pyridin-7-yl)-4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide is O=S(=O)(Nc1cc(-c2ccccc2)cc2c(Br)cnn12)c1ccc(Nc2cc(-c3ccccc3)nc3c(Br)cnn23)cc1.

What is the InChIKey of N-(3-bromo-5-phenylpyrazolo[1,5-a]pyridin-7-yl)-4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide?

The InChIKey is VGOWOAXBOOZGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H21Br2N7O2S/c32-25-18-34-39-28(25)15-22(20-7-3-1-4-8-20)16-30(39)38-43(41,42)24-13-11-23(12-14-24)36-29-17-27(21-9-5-2-6-10-21)37-31-26(33)19-35-40(29)31/h1-19,36,38H.

What are the key properties of N-(3-bromo-5-phenylpyrazolo[1,5-a]pyridin-7-yl)-4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide?

N-(3-bromo-5-phenylpyrazolo[1,5-a]pyridin-7-yl)-4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide has a molecular weight of 715.43 g/mol, XLogP of 7.78, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-bromo-5-phenylpyrazolo[1,5-a]pyridin-7-yl)-4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide is sourced from PubChem (CID 58604297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).