2-[[4-(5-bromo-1-phenylpyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methylamino]-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide;4-bromopyridine-2-carboxamide;4-bromopyridine-2-carboxylic acid;(4-bromo-2-pyridinyl)methanamine;N-[(3,4-difluorophenyl)methyl]-2-[[4-[5-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]methylamino]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methylamino]pyridine-3-carboxamide;sulfur dioxide

C104H88BBr4F6N23O10S — CID 160780590

About 2-[[4-(5-bromo-1-phenylpyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methylamino]-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide;4-bromopyridine-2-carboxamide;4-bromopyridine-2-carboxylic acid;(4-bromo-2-pyridinyl)methanamine;N-[(3,4-difluorophenyl)methyl]-2-[[4-[5-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]methylamino]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methylamino]pyridine-3-carboxamide;sulfur dioxide

2-[[4-(5-bromo-1-phenylpyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methylamino]-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide;4-bromopyridine-2-carboxamide;4-bromopyridine-2-carboxylic acid;(4-bromo-2-pyridinyl)methanamine;N-[(3,4-difluorophenyl)methyl]-2-[[4-[5-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]methylamino]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methylamino]pyridine-3-carboxamide;sulfur dioxide (PubChem CID 160780590) has the molecular formula C104H88BBr4F6N23O10S and a molecular weight of 2296.48 g/mol. Its IUPAC name is 2-[[4-(5-bromo-1-phenylpyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methylamino]-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide;4-bromopyridine-2-carboxamide;4-bromopyridine-2-carboxylic acid;(4-bromo-2-pyridinyl)methanamine;N-[(3,4-difluorophenyl)methyl]-2-[[4-[5-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]methylamino]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methylamino]pyridine-3-carboxamide;sulfur dioxide.

Molecular Properties

• Compound Name: 2-[[4-(5-bromo-1-phenylpyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methylamino]-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide;4-bromopyridine-2-carboxamide;4-bromopyridine-2-carboxylic acid;(4-bromo-2-pyridinyl)methanamine;N-[(3,4-difluorophenyl)methyl]-2-[[4-[5-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]methylamino]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methylamino]pyridine-3-carboxamide;sulfur dioxide
• PubChem CID: 160780590
• Molecular Formula: C104H88BBr4F6N23O10S
• Molecular Weight: 2296.48 g/mol
• Exact Mass: 2291.35
• IUPAC Name: 2-[[4-(5-bromo-1-phenylpyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methylamino]-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide;4-bromopyridine-2-carboxamide;4-bromopyridine-2-carboxylic acid;(4-bromo-2-pyridinyl)methanamine;N-[(3,4-difluorophenyl)methyl]-2-[[4-[5-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]methylamino]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methylamino]pyridine-3-carboxamide;sulfur dioxide
• SMILES: CC1(C)OB(c2ccnc(CNc3ncccc3C(=O)NCc3ccc(F)c(F)c3)c2)OC1(C)C.NC(=O)c1cc(Br)ccn1.NCc1cc(Br)ccn1.O=C(NCc1ccc(F)c(F)c1)c1cccnc1NCc1cc(-c2c[nH]c3ncc(-c4ccn[nH]4)cc23)ccn1.O=C(NCc1ccc(F)c(F)c1)c1cccnc1NCc1cc(-c2cn(-c3ccccc3)c3ncc(Br)cc23)ccn1.O=C(O)c1cc(Br)ccn1.O=S=O
• InChI: InChI=1S/C32H23BrF2N6O.C29H22F2N8O.C25H27BF2N4O3.C6H5BrN2O.C6H7BrN2.C6H4BrNO2.O2S/c33-22-15-26-27(19-41(31(26)39-17-22)24-5-2-1-3-6-24)21-10-12-36-23(14-21)18-38-30-25(7-4-11-37-30)32(42)40-16-20-8-9-28(34)29(35)13-20;30-24-4-3-17(10-25(24)31)13-37-29(40)21-2-1-7-33-27(21)35-15-20-11-18(5-8-32-20)23-16-36-28-22(23)12-19(14-34-28)26-6-9-38-39-26;1-24(2)25(3,4)35-26(34-24)17-9-11-29-18(13-17)15-31-22-19(6-5-10-30-22)23(33)32-14-16-7-8-20(27)21(28)12-16;7-4-1-2-9-5(3-4)6(8)10;7-5-1-2-9-6(3-5)4-8;7-4-1-2-8-5(3-4)6(9)10;1-3-2/h1-15,17,19H,16,18H2,(H,37,38)(H,40,42);1-12,14,16H,13,15H2,(H,33,35)(H,34,36)(H,37,40)(H,38,39);5-13H,14-15H2,1-4H3,(H,30,31)(H,32,33);1-3H,(H2,8,10);1-3H,4,8H2;1-3H,(H,9,10)
• InChIKey: SANGPGZCINLOOI-UHFFFAOYSA-N
• XLogP: 19.01
• TPSA: 473.59 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 26
• Rotatable Bonds: 26
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2296.48
LogP ≤ 5	19.01
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(5-bromo-1-phenylpyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methylamino]-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide;4-bromopyridine-2-carboxamide;4-bromopyridine-2-carboxylic acid;(4-bromo-2-pyridinyl)methanamine;N-[(3,4-difluorophenyl)methyl]-2-[[4-[5-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]methylamino]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methylamino]pyridine-3-carboxamide;sulfur dioxide?

The IUPAC name of 2-[[4-(5-bromo-1-phenylpyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methylamino]-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide;4-bromopyridine-2-carboxamide;4-bromopyridine-2-carboxylic acid;(4-bromo-2-pyridinyl)methanamine;N-[(3,4-difluorophenyl)methyl]-2-[[4-[5-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]methylamino]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methylamino]pyridine-3-carboxamide;sulfur dioxide (CID 160780590) is 2-[[4-(5-bromo-1-phenylpyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methylamino]-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide;4-bromopyridine-2-carboxamide;4-bromopyridine-2-carboxylic acid;(4-bromo-2-pyridinyl)methanamine;N-[(3,4-difluorophenyl)methyl]-2-[[4-[5-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]methylamino]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methylamino]pyridine-3-carboxamide;sulfur dioxide.

What is the SMILES notation for 2-[[4-(5-bromo-1-phenylpyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methylamino]-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide;4-bromopyridine-2-carboxamide;4-bromopyridine-2-carboxylic acid;(4-bromo-2-pyridinyl)methanamine;N-[(3,4-difluorophenyl)methyl]-2-[[4-[5-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]methylamino]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methylamino]pyridine-3-carboxamide;sulfur dioxide?

The canonical SMILES for 2-[[4-(5-bromo-1-phenylpyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methylamino]-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide;4-bromopyridine-2-carboxamide;4-bromopyridine-2-carboxylic acid;(4-bromo-2-pyridinyl)methanamine;N-[(3,4-difluorophenyl)methyl]-2-[[4-[5-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]methylamino]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methylamino]pyridine-3-carboxamide;sulfur dioxide is CC1(C)OB(c2ccnc(CNc3ncccc3C(=O)NCc3ccc(F)c(F)c3)c2)OC1(C)C.NC(=O)c1cc(Br)ccn1.NCc1cc(Br)ccn1.O=C(NCc1ccc(F)c(F)c1)c1cccnc1NCc1cc(-c2c[nH]c3ncc(-c4ccn[nH]4)cc23)ccn1.O=C(NCc1ccc(F)c(F)c1)c1cccnc1NCc1cc(-c2cn(-c3ccccc3)c3ncc(Br)cc23)ccn1.O=C(O)c1cc(Br)ccn1.O=S=O.

What is the InChIKey of 2-[[4-(5-bromo-1-phenylpyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methylamino]-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide;4-bromopyridine-2-carboxamide;4-bromopyridine-2-carboxylic acid;(4-bromo-2-pyridinyl)methanamine;N-[(3,4-difluorophenyl)methyl]-2-[[4-[5-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]methylamino]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methylamino]pyridine-3-carboxamide;sulfur dioxide?

The InChIKey is SANGPGZCINLOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23BrF2N6O.C29H22F2N8O.C25H27BF2N4O3.C6H5BrN2O.C6H7BrN2.C6H4BrNO2.O2S/c33-22-15-26-27(19-41(31(26)39-17-22)24-5-2-1-3-6-24)21-10-12-36-23(14-21)18-38-30-25(7-4-11-37-30)32(42)40-16-20-8-9-28(34)29(35)13-20;30-24-4-3-17(10-25(24)31)13-37-29(40)21-2-1-7-33-27(21)35-15-20-11-18(5-8-32-20)23-16-36-28-22(23)12-19(14-34-28)26-6-9-38-39-26;1-24(2)25(3,4)35-26(34-24)17-9-11-29-18(13-17)15-31-22-19(6-5-10-30-22)23(33)32-14-16-7-8-20(27)21(28)12-16;7-4-1-2-9-5(3-4)6(8)10;7-5-1-2-9-6(3-5)4-8;7-4-1-2-8-5(3-4)6(9)10;1-3-2/h1-15,17,19H,16,18H2,(H,37,38)(H,40,42);1-12,14,16H,13,15H2,(H,33,35)(H,34,36)(H,37,40)(H,38,39);5-13H,14-15H2,1-4H3,(H,30,31)(H,32,33);1-3H,(H2,8,10);1-3H,4,8H2;1-3H,(H,9,10);.

What are the key properties of 2-[[4-(5-bromo-1-phenylpyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methylamino]-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide;4-bromopyridine-2-carboxamide;4-bromopyridine-2-carboxylic acid;(4-bromo-2-pyridinyl)methanamine;N-[(3,4-difluorophenyl)methyl]-2-[[4-[5-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]methylamino]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methylamino]pyridine-3-carboxamide;sulfur dioxide?

2-[[4-(5-bromo-1-phenylpyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methylamino]-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide;4-bromopyridine-2-carboxamide;4-bromopyridine-2-carboxylic acid;(4-bromo-2-pyridinyl)methanamine;N-[(3,4-difluorophenyl)methyl]-2-[[4-[5-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]methylamino]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methylamino]pyridine-3-carboxamide;sulfur dioxide has a molecular weight of 2296.48 g/mol, XLogP of 19.01, 26 rotatable bonds, 11 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-(5-bromo-1-phenylpyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methylamino]-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide;4-bromopyridine-2-carboxamide;4-bromopyridine-2-carboxylic acid;(4-bromo-2-pyridinyl)methanamine;N-[(3,4-difluorophenyl)methyl]-2-[[4-[5-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]methylamino]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methylamino]pyridine-3-carboxamide;sulfur dioxide is sourced from PubChem (CID 160780590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).