zinc;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-cyano-2,3-dihydropyrrolo[2,3-c]pyridine-3-carboxamide;5-bromo-1H-pyrrolo[2,3-c]pyridine;deuterio(fluoro)methane;1H-pyrrolo[2,3-c]pyridine-5-carbonitrile;dicyanide

C45H37BrClFN14OZn — CID 160890759

About zinc;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-cyano-2,3-dihydropyrrolo[2,3-c]pyridine-3-carboxamide;5-bromo-1H-pyrrolo[2,3-c]pyridine;deuterio(fluoro)methane;1H-pyrrolo[2,3-c]pyridine-5-carbonitrile;dicyanide

zinc;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-cyano-2,3-dihydropyrrolo[2,3-c]pyridine-3-carboxamide;5-bromo-1H-pyrrolo[2,3-c]pyridine;deuterio(fluoro)methane;1H-pyrrolo[2,3-c]pyridine-5-carbonitrile;dicyanide (PubChem CID 160890759) has the molecular formula C45H37BrClFN14OZn and a molecular weight of 990.64 g/mol. Its IUPAC name is zinc;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-cyano-2,3-dihydropyrrolo[2,3-c]pyridine-3-carboxamide;5-bromo-1H-pyrrolo[2,3-c]pyridine;deuterio(fluoro)methane;1H-pyrrolo[2,3-c]pyridine-5-carbonitrile;dicyanide.

Molecular Properties

• Compound Name: zinc;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-cyano-2,3-dihydropyrrolo[2,3-c]pyridine-3-carboxamide;5-bromo-1H-pyrrolo[2,3-c]pyridine;deuterio(fluoro)methane;1H-pyrrolo[2,3-c]pyridine-5-carbonitrile;dicyanide
• PubChem CID: 160890759
• Molecular Formula: C45H37BrClFN14OZn
• Molecular Weight: 990.64 g/mol
• Exact Mass: 987.15
• IUPAC Name: zinc;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-cyano-2,3-dihydropyrrolo[2,3-c]pyridine-3-carboxamide;5-bromo-1H-pyrrolo[2,3-c]pyridine;deuterio(fluoro)methane;1H-pyrrolo[2,3-c]pyridine-5-carbonitrile;dicyanide
• SMILES: Brc1cc2cc[nH]c2cn1.Cc1cc(N)nc(C)c1CNC(=O)C1CN(Cc2ccc3ncc(Cl)cc3c2)c2cnc(C#N)cc21.N#Cc1cc2cc[nH]c2cn1.[2H]CF.[C-]#N.[C-]#N.[Zn+2]
• InChI: InChI=1S/C27H24ClN7O.C8H5N3.C7H5BrN2.CH3F.2CN.Zn/c1-15-5-26(30)34-16(2)22(15)11-33-27(36)23-14-35(25-12-31-20(9-29)8-21(23)25)13-17-3-4-24-18(6-17)7-19(28)10-32-24;9-4-7-3-6-1-2-10-8(6)5-11-7;8-7-3-5-1-2-9-6(5)4-10-7;3*1-2;/h3-8,10,12,23H,11,13-14H2,1-2H3,(H2,30,34)(H,33,36);1-3,5,10H;1-4,9H;1H3;;;/q;;;;2*-1;+2/i;;;1D
• InChIKey: XWPJOTJMFPSFRU-ZISLHFOPSA-N
• XLogP: 8.71
• TPSA: 249.55 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 5
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	990.64
LogP ≤ 5	8.71
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-cyano-2,3-dihydropyrrolo[2,3-c]pyridine-3-carboxamide;5-bromo-1H-pyrrolo[2,3-c]pyridine;deuterio(fluoro)methane;1H-pyrrolo[2,3-c]pyridine-5-carbonitrile;dicyanide?

The IUPAC name of zinc;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-cyano-2,3-dihydropyrrolo[2,3-c]pyridine-3-carboxamide;5-bromo-1H-pyrrolo[2,3-c]pyridine;deuterio(fluoro)methane;1H-pyrrolo[2,3-c]pyridine-5-carbonitrile;dicyanide (CID 160890759) is zinc;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-cyano-2,3-dihydropyrrolo[2,3-c]pyridine-3-carboxamide;5-bromo-1H-pyrrolo[2,3-c]pyridine;deuterio(fluoro)methane;1H-pyrrolo[2,3-c]pyridine-5-carbonitrile;dicyanide.

What is the SMILES notation for zinc;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-cyano-2,3-dihydropyrrolo[2,3-c]pyridine-3-carboxamide;5-bromo-1H-pyrrolo[2,3-c]pyridine;deuterio(fluoro)methane;1H-pyrrolo[2,3-c]pyridine-5-carbonitrile;dicyanide?

The canonical SMILES for zinc;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-cyano-2,3-dihydropyrrolo[2,3-c]pyridine-3-carboxamide;5-bromo-1H-pyrrolo[2,3-c]pyridine;deuterio(fluoro)methane;1H-pyrrolo[2,3-c]pyridine-5-carbonitrile;dicyanide is Brc1cc2cc[nH]c2cn1.Cc1cc(N)nc(C)c1CNC(=O)C1CN(Cc2ccc3ncc(Cl)cc3c2)c2cnc(C#N)cc21.N#Cc1cc2cc[nH]c2cn1.[2H]CF.[C-]#N.[C-]#N.[Zn+2].

What is the InChIKey of zinc;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-cyano-2,3-dihydropyrrolo[2,3-c]pyridine-3-carboxamide;5-bromo-1H-pyrrolo[2,3-c]pyridine;deuterio(fluoro)methane;1H-pyrrolo[2,3-c]pyridine-5-carbonitrile;dicyanide?

The InChIKey is XWPJOTJMFPSFRU-ZISLHFOPSA-N. The full InChI is InChI=1S/C27H24ClN7O.C8H5N3.C7H5BrN2.CH3F.2CN.Zn/c1-15-5-26(30)34-16(2)22(15)11-33-27(36)23-14-35(25-12-31-20(9-29)8-21(23)25)13-17-3-4-24-18(6-17)7-19(28)10-32-24;9-4-7-3-6-1-2-10-8(6)5-11-7;8-7-3-5-1-2-9-6(5)4-10-7;3*1-2;/h3-8,10,12,23H,11,13-14H2,1-2H3,(H2,30,34)(H,33,36);1-3,5,10H;1-4,9H;1H3;;;/q;;;;2*-1;+2/i;;;1D;;;.

What are the key properties of zinc;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-cyano-2,3-dihydropyrrolo[2,3-c]pyridine-3-carboxamide;5-bromo-1H-pyrrolo[2,3-c]pyridine;deuterio(fluoro)methane;1H-pyrrolo[2,3-c]pyridine-5-carbonitrile;dicyanide?

zinc;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-cyano-2,3-dihydropyrrolo[2,3-c]pyridine-3-carboxamide;5-bromo-1H-pyrrolo[2,3-c]pyridine;deuterio(fluoro)methane;1H-pyrrolo[2,3-c]pyridine-5-carbonitrile;dicyanide has a molecular weight of 990.64 g/mol, XLogP of 8.71, 5 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for zinc;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-cyano-2,3-dihydropyrrolo[2,3-c]pyridine-3-carboxamide;5-bromo-1H-pyrrolo[2,3-c]pyridine;deuterio(fluoro)methane;1H-pyrrolo[2,3-c]pyridine-5-carbonitrile;dicyanide is sourced from PubChem (CID 160890759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).