(3-amino-2,6-difluorophenyl)-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)methanone;N-[3-(5-bromo-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)-2,4-difluorophenyl]methanesulfonamide;4-[3-[2,6-difluoro-3-(methanesulfonamido)benzoyl]-2H-pyrazolo[3,4-b]pyridin-5-yl]benzenesulfonamide;methanesulfonyl chloride

C48H34Br2ClF6N13O11S4 — CID 157245945

About (3-amino-2,6-difluorophenyl)-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)methanone;N-[3-(5-bromo-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)-2,4-difluorophenyl]methanesulfonamide;4-[3-[2,6-difluoro-3-(methanesulfonamido)benzoyl]-2H-pyrazolo[3,4-b]pyridin-5-yl]benzenesulfonamide;methanesulfonyl chloride

(3-amino-2,6-difluorophenyl)-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)methanone;N-[3-(5-bromo-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)-2,4-difluorophenyl]methanesulfonamide;4-[3-[2,6-difluoro-3-(methanesulfonamido)benzoyl]-2H-pyrazolo[3,4-b]pyridin-5-yl]benzenesulfonamide;methanesulfonyl chloride (PubChem CID 157245945) has the molecular formula C48H34Br2ClF6N13O11S4 and a molecular weight of 1406.40 g/mol. Its IUPAC name is (3-amino-2,6-difluorophenyl)-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)methanone;N-[3-(5-bromo-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)-2,4-difluorophenyl]methanesulfonamide;4-[3-[2,6-difluoro-3-(methanesulfonamido)benzoyl]-2H-pyrazolo[3,4-b]pyridin-5-yl]benzenesulfonamide;methanesulfonyl chloride.

Molecular Properties

• Compound Name: (3-amino-2,6-difluorophenyl)-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)methanone;N-[3-(5-bromo-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)-2,4-difluorophenyl]methanesulfonamide;4-[3-[2,6-difluoro-3-(methanesulfonamido)benzoyl]-2H-pyrazolo[3,4-b]pyridin-5-yl]benzenesulfonamide;methanesulfonyl chloride
• PubChem CID: 157245945
• Molecular Formula: C48H34Br2ClF6N13O11S4
• Molecular Weight: 1406.40 g/mol
• Exact Mass: 1402.93
• IUPAC Name: (3-amino-2,6-difluorophenyl)-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)methanone;N-[3-(5-bromo-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)-2,4-difluorophenyl]methanesulfonamide;4-[3-[2,6-difluoro-3-(methanesulfonamido)benzoyl]-2H-pyrazolo[3,4-b]pyridin-5-yl]benzenesulfonamide;methanesulfonyl chloride
• SMILES: CS(=O)(=O)Cl.CS(=O)(=O)Nc1ccc(F)c(C(=O)c2[nH]nc3ncc(-c4ccc(S(N)(=O)=O)cc4)cc23)c1F.CS(=O)(=O)Nc1ccc(F)c(C(=O)c2[nH]nc3ncc(Br)cc23)c1F.Nc1ccc(F)c(C(=O)c2[nH]nc3ncc(Br)cc23)c1F
• InChI: InChI=1S/C20H15F2N5O5S2.C14H9BrF2N4O3S.C13H7BrF2N4O.CH3ClO2S/c1-33(29,30)27-15-7-6-14(21)16(17(15)22)19(28)18-13-8-11(9-24-20(13)26-25-18)10-2-4-12(5-3-10)34(23,31)32;1-25(23,24)21-9-3-2-8(16)10(11(9)17)13(22)12-7-4-6(15)5-18-14(7)20-19-12;14-5-3-6-11(19-20-13(6)18-4-5)12(21)9-7(15)1-2-8(17)10(9)16;1-5(2,3)4/h2-9,27H,1H3,(H2,23,31,32)(H,24,25,26);2-5,21H,1H3,(H,18,19,20);1-4H,17H2,(H,18,19,20);1H3
• InChIKey: AVTOJICBOBZGJL-UHFFFAOYSA-N
• XLogP: 7.75
• TPSA: 388.58 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 18
• Rotatable Bonds: 12
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1406.40
LogP ≤ 5	7.75
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3-amino-2,6-difluorophenyl)-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)methanone;N-[3-(5-bromo-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)-2,4-difluorophenyl]methanesulfonamide;4-[3-[2,6-difluoro-3-(methanesulfonamido)benzoyl]-2H-pyrazolo[3,4-b]pyridin-5-yl]benzenesulfonamide;methanesulfonyl chloride?

The IUPAC name of (3-amino-2,6-difluorophenyl)-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)methanone;N-[3-(5-bromo-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)-2,4-difluorophenyl]methanesulfonamide;4-[3-[2,6-difluoro-3-(methanesulfonamido)benzoyl]-2H-pyrazolo[3,4-b]pyridin-5-yl]benzenesulfonamide;methanesulfonyl chloride (CID 157245945) is (3-amino-2,6-difluorophenyl)-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)methanone;N-[3-(5-bromo-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)-2,4-difluorophenyl]methanesulfonamide;4-[3-[2,6-difluoro-3-(methanesulfonamido)benzoyl]-2H-pyrazolo[3,4-b]pyridin-5-yl]benzenesulfonamide;methanesulfonyl chloride.

What is the SMILES notation for (3-amino-2,6-difluorophenyl)-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)methanone;N-[3-(5-bromo-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)-2,4-difluorophenyl]methanesulfonamide;4-[3-[2,6-difluoro-3-(methanesulfonamido)benzoyl]-2H-pyrazolo[3,4-b]pyridin-5-yl]benzenesulfonamide;methanesulfonyl chloride?

The canonical SMILES for (3-amino-2,6-difluorophenyl)-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)methanone;N-[3-(5-bromo-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)-2,4-difluorophenyl]methanesulfonamide;4-[3-[2,6-difluoro-3-(methanesulfonamido)benzoyl]-2H-pyrazolo[3,4-b]pyridin-5-yl]benzenesulfonamide;methanesulfonyl chloride is CS(=O)(=O)Cl.CS(=O)(=O)Nc1ccc(F)c(C(=O)c2[nH]nc3ncc(-c4ccc(S(N)(=O)=O)cc4)cc23)c1F.CS(=O)(=O)Nc1ccc(F)c(C(=O)c2[nH]nc3ncc(Br)cc23)c1F.Nc1ccc(F)c(C(=O)c2[nH]nc3ncc(Br)cc23)c1F.

What is the InChIKey of (3-amino-2,6-difluorophenyl)-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)methanone;N-[3-(5-bromo-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)-2,4-difluorophenyl]methanesulfonamide;4-[3-[2,6-difluoro-3-(methanesulfonamido)benzoyl]-2H-pyrazolo[3,4-b]pyridin-5-yl]benzenesulfonamide;methanesulfonyl chloride?

The InChIKey is AVTOJICBOBZGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N5O5S2.C14H9BrF2N4O3S.C13H7BrF2N4O.CH3ClO2S/c1-33(29,30)27-15-7-6-14(21)16(17(15)22)19(28)18-13-8-11(9-24-20(13)26-25-18)10-2-4-12(5-3-10)34(23,31)32;1-25(23,24)21-9-3-2-8(16)10(11(9)17)13(22)12-7-4-6(15)5-18-14(7)20-19-12;14-5-3-6-11(19-20-13(6)18-4-5)12(21)9-7(15)1-2-8(17)10(9)16;1-5(2,3)4/h2-9,27H,1H3,(H2,23,31,32)(H,24,25,26);2-5,21H,1H3,(H,18,19,20);1-4H,17H2,(H,18,19,20);1H3.

What are the key properties of (3-amino-2,6-difluorophenyl)-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)methanone;N-[3-(5-bromo-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)-2,4-difluorophenyl]methanesulfonamide;4-[3-[2,6-difluoro-3-(methanesulfonamido)benzoyl]-2H-pyrazolo[3,4-b]pyridin-5-yl]benzenesulfonamide;methanesulfonyl chloride?

(3-amino-2,6-difluorophenyl)-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)methanone;N-[3-(5-bromo-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)-2,4-difluorophenyl]methanesulfonamide;4-[3-[2,6-difluoro-3-(methanesulfonamido)benzoyl]-2H-pyrazolo[3,4-b]pyridin-5-yl]benzenesulfonamide;methanesulfonyl chloride has a molecular weight of 1406.40 g/mol, XLogP of 7.75, 12 rotatable bonds, 7 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for (3-amino-2,6-difluorophenyl)-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)methanone;N-[3-(5-bromo-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)-2,4-difluorophenyl]methanesulfonamide;4-[3-[2,6-difluoro-3-(methanesulfonamido)benzoyl]-2H-pyrazolo[3,4-b]pyridin-5-yl]benzenesulfonamide;methanesulfonyl chloride is sourced from PubChem (CID 157245945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).