4-bromopyridine;N-[2,6-difluoro-3-[1-(oxan-2-yl)-5-pyridin-4-ylpyrazolo[5,4-b]pyridine-3-carbonyl]phenyl]methanesulfonamide;N-[2,6-difluoro-3-[1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine-3-carbonyl]phenyl]methanesulfonamide;N-[2,6-difluoro-3-(5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)phenyl]methanesulfonamide;dihydrochloride

C73H69BBrCl2F6N15O13S3 — CID 158454415

About 4-bromopyridine;N-[2,6-difluoro-3-[1-(oxan-2-yl)-5-pyridin-4-ylpyrazolo[5,4-b]pyridine-3-carbonyl]phenyl]methanesulfonamide;N-[2,6-difluoro-3-[1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine-3-carbonyl]phenyl]methanesulfonamide;N-[2,6-difluoro-3-(5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)phenyl]methanesulfonamide;dihydrochloride

4-bromopyridine;N-[2,6-difluoro-3-[1-(oxan-2-yl)-5-pyridin-4-ylpyrazolo[5,4-b]pyridine-3-carbonyl]phenyl]methanesulfonamide;N-[2,6-difluoro-3-[1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine-3-carbonyl]phenyl]methanesulfonamide;N-[2,6-difluoro-3-(5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)phenyl]methanesulfonamide;dihydrochloride (PubChem CID 158454415) has the molecular formula C73H69BBrCl2F6N15O13S3 and a molecular weight of 1736.26 g/mol. Its IUPAC name is 4-bromopyridine;N-[2,6-difluoro-3-[1-(oxan-2-yl)-5-pyridin-4-ylpyrazolo[5,4-b]pyridine-3-carbonyl]phenyl]methanesulfonamide;N-[2,6-difluoro-3-[1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine-3-carbonyl]phenyl]methanesulfonamide;N-[2,6-difluoro-3-(5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)phenyl]methanesulfonamide;dihydrochloride.

Molecular Properties

• Compound Name: 4-bromopyridine;N-[2,6-difluoro-3-[1-(oxan-2-yl)-5-pyridin-4-ylpyrazolo[5,4-b]pyridine-3-carbonyl]phenyl]methanesulfonamide;N-[2,6-difluoro-3-[1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine-3-carbonyl]phenyl]methanesulfonamide;N-[2,6-difluoro-3-(5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)phenyl]methanesulfonamide;dihydrochloride
• PubChem CID: 158454415
• Molecular Formula: C73H69BBrCl2F6N15O13S3
• Molecular Weight: 1736.26 g/mol
• Exact Mass: 1733.29
• IUPAC Name: 4-bromopyridine;N-[2,6-difluoro-3-[1-(oxan-2-yl)-5-pyridin-4-ylpyrazolo[5,4-b]pyridine-3-carbonyl]phenyl]methanesulfonamide;N-[2,6-difluoro-3-[1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine-3-carbonyl]phenyl]methanesulfonamide;N-[2,6-difluoro-3-(5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)phenyl]methanesulfonamide;dihydrochloride
• SMILES: Brc1ccncc1.CC1(C)OB(c2cnc3c(c2)c(C(=O)c2ccc(F)c(NS(C)(=O)=O)c2F)nn3C2CCCCO2)OC1(C)C.CS(=O)(=O)Nc1c(F)ccc(C(=O)c2[nH]nc3ncc(-c4ccncc4)cc23)c1F.CS(=O)(=O)Nc1c(F)ccc(C(=O)c2nn(C3CCCCO3)c3ncc(-c4ccncc4)cc23)c1F.Cl.Cl
• InChI: InChI=1S/C25H29BF2N4O6S.C24H21F2N5O4S.C19H13F2N5O3S.C5H4BrN.2ClH/c1-24(2)25(3,4)38-26(37-24)14-12-16-20(30-32(23(16)29-13-14)18-8-6-7-11-36-18)22(33)15-9-10-17(27)21(19(15)28)31-39(5,34)35;1-36(33,34)30-22-18(25)6-5-16(20(22)26)23(32)21-17-12-15(14-7-9-27-10-8-14)13-28-24(17)31(29-21)19-4-2-3-11-35-19;1-30(28,29)26-17-14(20)3-2-12(15(17)21)18(27)16-13-8-11(9-23-19(13)25-24-16)10-4-6-22-7-5-10;6-5-1-3-7-4-2-5;;/h9-10,12-13,18,31H,6-8,11H2,1-5H3;5-10,12-13,19,30H,2-4,11H2,1H3;2-9,26H,1H3,(H,23,24,25);1-4H;2*1H
• InChIKey: ILFHXZDUBJBZKJ-UHFFFAOYSA-N
• XLogP: 12.97
• TPSA: 368.30 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 17
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1736.26
LogP ≤ 5	12.97
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-bromopyridine;N-[2,6-difluoro-3-[1-(oxan-2-yl)-5-pyridin-4-ylpyrazolo[5,4-b]pyridine-3-carbonyl]phenyl]methanesulfonamide;N-[2,6-difluoro-3-[1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine-3-carbonyl]phenyl]methanesulfonamide;N-[2,6-difluoro-3-(5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)phenyl]methanesulfonamide;dihydrochloride?

The IUPAC name of 4-bromopyridine;N-[2,6-difluoro-3-[1-(oxan-2-yl)-5-pyridin-4-ylpyrazolo[5,4-b]pyridine-3-carbonyl]phenyl]methanesulfonamide;N-[2,6-difluoro-3-[1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine-3-carbonyl]phenyl]methanesulfonamide;N-[2,6-difluoro-3-(5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)phenyl]methanesulfonamide;dihydrochloride (CID 158454415) is 4-bromopyridine;N-[2,6-difluoro-3-[1-(oxan-2-yl)-5-pyridin-4-ylpyrazolo[5,4-b]pyridine-3-carbonyl]phenyl]methanesulfonamide;N-[2,6-difluoro-3-[1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine-3-carbonyl]phenyl]methanesulfonamide;N-[2,6-difluoro-3-(5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)phenyl]methanesulfonamide;dihydrochloride.

What is the SMILES notation for 4-bromopyridine;N-[2,6-difluoro-3-[1-(oxan-2-yl)-5-pyridin-4-ylpyrazolo[5,4-b]pyridine-3-carbonyl]phenyl]methanesulfonamide;N-[2,6-difluoro-3-[1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine-3-carbonyl]phenyl]methanesulfonamide;N-[2,6-difluoro-3-(5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)phenyl]methanesulfonamide;dihydrochloride?

The canonical SMILES for 4-bromopyridine;N-[2,6-difluoro-3-[1-(oxan-2-yl)-5-pyridin-4-ylpyrazolo[5,4-b]pyridine-3-carbonyl]phenyl]methanesulfonamide;N-[2,6-difluoro-3-[1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine-3-carbonyl]phenyl]methanesulfonamide;N-[2,6-difluoro-3-(5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)phenyl]methanesulfonamide;dihydrochloride is Brc1ccncc1.CC1(C)OB(c2cnc3c(c2)c(C(=O)c2ccc(F)c(NS(C)(=O)=O)c2F)nn3C2CCCCO2)OC1(C)C.CS(=O)(=O)Nc1c(F)ccc(C(=O)c2[nH]nc3ncc(-c4ccncc4)cc23)c1F.CS(=O)(=O)Nc1c(F)ccc(C(=O)c2nn(C3CCCCO3)c3ncc(-c4ccncc4)cc23)c1F.Cl.Cl.

What is the InChIKey of 4-bromopyridine;N-[2,6-difluoro-3-[1-(oxan-2-yl)-5-pyridin-4-ylpyrazolo[5,4-b]pyridine-3-carbonyl]phenyl]methanesulfonamide;N-[2,6-difluoro-3-[1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine-3-carbonyl]phenyl]methanesulfonamide;N-[2,6-difluoro-3-(5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)phenyl]methanesulfonamide;dihydrochloride?

The InChIKey is ILFHXZDUBJBZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29BF2N4O6S.C24H21F2N5O4S.C19H13F2N5O3S.C5H4BrN.2ClH/c1-24(2)25(3,4)38-26(37-24)14-12-16-20(30-32(23(16)29-13-14)18-8-6-7-11-36-18)22(33)15-9-10-17(27)21(19(15)28)31-39(5,34)35;1-36(33,34)30-22-18(25)6-5-16(20(22)26)23(32)21-17-12-15(14-7-9-27-10-8-14)13-28-24(17)31(29-21)19-4-2-3-11-35-19;1-30(28,29)26-17-14(20)3-2-12(15(17)21)18(27)16-13-8-11(9-23-19(13)25-24-16)10-4-6-22-7-5-10;6-5-1-3-7-4-2-5;;/h9-10,12-13,18,31H,6-8,11H2,1-5H3;5-10,12-13,19,30H,2-4,11H2,1H3;2-9,26H,1H3,(H,23,24,25);1-4H;2*1H.

What are the key properties of 4-bromopyridine;N-[2,6-difluoro-3-[1-(oxan-2-yl)-5-pyridin-4-ylpyrazolo[5,4-b]pyridine-3-carbonyl]phenyl]methanesulfonamide;N-[2,6-difluoro-3-[1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine-3-carbonyl]phenyl]methanesulfonamide;N-[2,6-difluoro-3-(5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)phenyl]methanesulfonamide;dihydrochloride?

4-bromopyridine;N-[2,6-difluoro-3-[1-(oxan-2-yl)-5-pyridin-4-ylpyrazolo[5,4-b]pyridine-3-carbonyl]phenyl]methanesulfonamide;N-[2,6-difluoro-3-[1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine-3-carbonyl]phenyl]methanesulfonamide;N-[2,6-difluoro-3-(5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)phenyl]methanesulfonamide;dihydrochloride has a molecular weight of 1736.26 g/mol, XLogP of 12.97, 17 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromopyridine;N-[2,6-difluoro-3-[1-(oxan-2-yl)-5-pyridin-4-ylpyrazolo[5,4-b]pyridine-3-carbonyl]phenyl]methanesulfonamide;N-[2,6-difluoro-3-[1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine-3-carbonyl]phenyl]methanesulfonamide;N-[2,6-difluoro-3-(5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)phenyl]methanesulfonamide;dihydrochloride is sourced from PubChem (CID 158454415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).