zinc;1-(benzenesulfonyl)-3-(6-chloropyrimidin-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-(6-isocyanopyrimidin-4-yl)pyrrolo[2,3-b]pyridine;N-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]methyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide;1-(benzenesulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;4,6-dichloropyrimidine;1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid;dicyanide

C104H76BCl3F4N22O15S4Zn — CID 160631064

About zinc;1-(benzenesulfonyl)-3-(6-chloropyrimidin-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-(6-isocyanopyrimidin-4-yl)pyrrolo[2,3-b]pyridine;N-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]methyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide;1-(benzenesulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;4,6-dichloropyrimidine;1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid;dicyanide

zinc;1-(benzenesulfonyl)-3-(6-chloropyrimidin-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-(6-isocyanopyrimidin-4-yl)pyrrolo[2,3-b]pyridine;N-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]methyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide;1-(benzenesulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;4,6-dichloropyrimidine;1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid;dicyanide (PubChem CID 160631064) has the molecular formula C104H76BCl3F4N22O15S4Zn and a molecular weight of 2260.71 g/mol. Its IUPAC name is zinc;1-(benzenesulfonyl)-3-(6-chloropyrimidin-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-(6-isocyanopyrimidin-4-yl)pyrrolo[2,3-b]pyridine;N-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]methyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide;1-(benzenesulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;4,6-dichloropyrimidine;1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid;dicyanide.

Molecular Properties

• Compound Name: zinc;1-(benzenesulfonyl)-3-(6-chloropyrimidin-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-(6-isocyanopyrimidin-4-yl)pyrrolo[2,3-b]pyridine;N-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]methyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide;1-(benzenesulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;4,6-dichloropyrimidine;1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid;dicyanide
• PubChem CID: 160631064
• Molecular Formula: C104H76BCl3F4N22O15S4Zn
• Molecular Weight: 2260.71 g/mol
• Exact Mass: 2256.31
• IUPAC Name: zinc;1-(benzenesulfonyl)-3-(6-chloropyrimidin-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-(6-isocyanopyrimidin-4-yl)pyrrolo[2,3-b]pyridine;N-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]methyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide;1-(benzenesulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;4,6-dichloropyrimidine;1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid;dicyanide
• SMILES: CC1(C)OB(c2cn(S(=O)(=O)c3ccccc3)c3ncccc23)OC1(C)C.Clc1cc(Cl)ncn1.O=C(NCc1cc(-c2cn(S(=O)(=O)c3ccccc3)c3ncccc23)ncn1)c1cccn(Cc2ccc(F)c(F)c2)c1=O.O=C(O)c1cccn(Cc2ccc(F)c(F)c2)c1=O.O=S(=O)(c1ccccc1)n1cc(-c2cc(Cl)ncn2)c2cccnc21.[C-]#N.[C-]#N.[C-]#[N+]c1cc(-c2cn(S(=O)(=O)c3ccccc3)c3ncccc23)ncn1.[Zn+2]
• InChI: InChI=1S/C31H22F2N6O4S.C19H21BN2O4S.C18H11N5O2S.C17H11ClN4O2S.C13H9F2NO3.C4H2Cl2N2.2CN.Zn/c32-26-11-10-20(14-27(26)33)17-38-13-5-9-24(31(38)41)30(40)35-16-21-15-28(37-19-36-21)25-18-39(29-23(25)8-4-12-34-29)44(42,43)22-6-2-1-3-7-22;1-18(2)19(3,4)26-20(25-18)16-13-22(17-15(16)11-8-12-21-17)27(23,24)14-9-6-5-7-10-14;1-19-17-10-16(21-12-22-17)15-11-23(18-14(15)8-5-9-20-18)26(24,25)13-6-3-2-4-7-13;18-16-9-15(20-11-21-16)14-10-22(17-13(14)7-4-8-19-17)25(23,24)12-5-2-1-3-6-12;14-10-4-3-8(6-11(10)15)7-16-5-1-2-9(12(16)17)13(18)19;5-3-1-4(6)8-2-7-3;2*1-2;/h1-15,18-19H,16-17H2,(H,35,40);5-13H,1-4H3;2-12H;1-11H;1-6H,7H2,(H,18,19);1-2H;;;/q;;;;;;2*-1;+2
• InChIKey: FYCGPJGICASXOS-UHFFFAOYSA-N
• XLogP: 17.23
• TPSA: 491.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 34
• Rotatable Bonds: 20
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2260.71
LogP ≤ 5	17.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of zinc;1-(benzenesulfonyl)-3-(6-chloropyrimidin-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-(6-isocyanopyrimidin-4-yl)pyrrolo[2,3-b]pyridine;N-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]methyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide;1-(benzenesulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;4,6-dichloropyrimidine;1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid;dicyanide?

The IUPAC name of zinc;1-(benzenesulfonyl)-3-(6-chloropyrimidin-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-(6-isocyanopyrimidin-4-yl)pyrrolo[2,3-b]pyridine;N-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]methyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide;1-(benzenesulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;4,6-dichloropyrimidine;1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid;dicyanide (CID 160631064) is zinc;1-(benzenesulfonyl)-3-(6-chloropyrimidin-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-(6-isocyanopyrimidin-4-yl)pyrrolo[2,3-b]pyridine;N-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]methyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide;1-(benzenesulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;4,6-dichloropyrimidine;1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid;dicyanide.

What is the SMILES notation for zinc;1-(benzenesulfonyl)-3-(6-chloropyrimidin-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-(6-isocyanopyrimidin-4-yl)pyrrolo[2,3-b]pyridine;N-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]methyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide;1-(benzenesulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;4,6-dichloropyrimidine;1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid;dicyanide?

The canonical SMILES for zinc;1-(benzenesulfonyl)-3-(6-chloropyrimidin-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-(6-isocyanopyrimidin-4-yl)pyrrolo[2,3-b]pyridine;N-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]methyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide;1-(benzenesulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;4,6-dichloropyrimidine;1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid;dicyanide is CC1(C)OB(c2cn(S(=O)(=O)c3ccccc3)c3ncccc23)OC1(C)C.Clc1cc(Cl)ncn1.O=C(NCc1cc(-c2cn(S(=O)(=O)c3ccccc3)c3ncccc23)ncn1)c1cccn(Cc2ccc(F)c(F)c2)c1=O.O=C(O)c1cccn(Cc2ccc(F)c(F)c2)c1=O.O=S(=O)(c1ccccc1)n1cc(-c2cc(Cl)ncn2)c2cccnc21.[C-]#N.[C-]#N.[C-]#[N+]c1cc(-c2cn(S(=O)(=O)c3ccccc3)c3ncccc23)ncn1.[Zn+2].

What is the InChIKey of zinc;1-(benzenesulfonyl)-3-(6-chloropyrimidin-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-(6-isocyanopyrimidin-4-yl)pyrrolo[2,3-b]pyridine;N-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]methyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide;1-(benzenesulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;4,6-dichloropyrimidine;1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid;dicyanide?

The InChIKey is FYCGPJGICASXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22F2N6O4S.C19H21BN2O4S.C18H11N5O2S.C17H11ClN4O2S.C13H9F2NO3.C4H2Cl2N2.2CN.Zn/c32-26-11-10-20(14-27(26)33)17-38-13-5-9-24(31(38)41)30(40)35-16-21-15-28(37-19-36-21)25-18-39(29-23(25)8-4-12-34-29)44(42,43)22-6-2-1-3-7-22;1-18(2)19(3,4)26-20(25-18)16-13-22(17-15(16)11-8-12-21-17)27(23,24)14-9-6-5-7-10-14;1-19-17-10-16(21-12-22-17)15-11-23(18-14(15)8-5-9-20-18)26(24,25)13-6-3-2-4-7-13;18-16-9-15(20-11-21-16)14-10-22(17-13(14)7-4-8-19-17)25(23,24)12-5-2-1-3-6-12;14-10-4-3-8(6-11(10)15)7-16-5-1-2-9(12(16)17)13(18)19;5-3-1-4(6)8-2-7-3;2*1-2;/h1-15,18-19H,16-17H2,(H,35,40);5-13H,1-4H3;2-12H;1-11H;1-6H,7H2,(H,18,19);1-2H;;;/q;;;;;;2*-1;+2.

What are the key properties of zinc;1-(benzenesulfonyl)-3-(6-chloropyrimidin-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-(6-isocyanopyrimidin-4-yl)pyrrolo[2,3-b]pyridine;N-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]methyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide;1-(benzenesulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;4,6-dichloropyrimidine;1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid;dicyanide?

zinc;1-(benzenesulfonyl)-3-(6-chloropyrimidin-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-(6-isocyanopyrimidin-4-yl)pyrrolo[2,3-b]pyridine;N-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]methyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide;1-(benzenesulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;4,6-dichloropyrimidine;1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid;dicyanide has a molecular weight of 2260.71 g/mol, XLogP of 17.23, 20 rotatable bonds, 2 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for zinc;1-(benzenesulfonyl)-3-(6-chloropyrimidin-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-(6-isocyanopyrimidin-4-yl)pyrrolo[2,3-b]pyridine;N-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]methyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide;1-(benzenesulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;4,6-dichloropyrimidine;1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid;dicyanide is sourced from PubChem (CID 160631064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).