zinc;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-cyanopyrrolo[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

C45H35BrClFN14OZn — CID 159830221

IUPACzinc;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-cyanopyrrolo[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
SMILESBrc1cc2cc[nH]c2cn1.Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc3ncc(Cl)cc3c2)c2cnc(C#N)cc12.N#Cc1cc2cc[nH]c2cn1.[2H]CF.[C-]#N.[C-]#N.[Zn+2]
InChIInChI=1S/C27H22ClN7O.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;/h3-8,10,12,14H,11,13H2,1-2H3,(H2,30,34)(H,33,36);1-3,5,10H;1-4,9H;1H3;;;/q;;;;2*-1;+2/i;;;1D;;;
InChIKeyKJPHDBCPCYBARR-ZISLHFOPSA-N
MW988.62 g/mol
LogP9.22
Rot. Bonds5

About zinc;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-cyanopyrrolo[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-cyanopyrrolo[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 159830221) has the molecular formula C45H35BrClFN14OZn and a molecular weight of 988.62 g/mol. Its IUPAC name is zinc;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-cyanopyrrolo[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 Namezinc;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-cyanopyrrolo[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 CID159830221
Molecular FormulaC45H35BrClFN14OZn
Molecular Weight988.62 g/mol
Exact Mass985.13
IUPAC Namezinc;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-cyanopyrrolo[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
SMILESBrc1cc2cc[nH]c2cn1.Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc3ncc(Cl)cc3c2)c2cnc(C#N)cc12.N#Cc1cc2cc[nH]c2cn1.[2H]CF.[C-]#N.[C-]#N.[Zn+2]
InChIInChI=1S/C27H22ClN7O.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;/h3-8,10,12,14H,11,13H2,1-2H3,(H2,30,34)(H,33,36);1-3,5,10H;1-4,9H;1H3;;;/q;;;;2*-1;+2/i;;;1D;;;
InChIKeyKJPHDBCPCYBARR-ZISLHFOPSA-N
XLogP9.22
TPSA251.24 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500988.62
LogP ≤ 59.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

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'}

Analyze zinc;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-cyanopyrrolo[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 with MolForge

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Related Compounds

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrrolo[2,3-c]pyridine-3-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrrolo[2,3-c]pyridine-3-carboxylic acid
CID 161079698
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrrolo[3,2-b]pyridine-3-carboxamide;ethane
CID 145441055
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carboxamide
CID 134178248
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-bromo-1-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxamide
CID 134178441
4-amino-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrazole-3-carboxamide
CID 138658473
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-2-isocyanoimidazole-4-carboxamide
CID 140929567
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-(aminomethyl)-1-[(3-chloroquinolin-6-yl)methyl]imidazole-4-carboxamide
CID 134178616
3-[[(6-amino-2,4-dimethyl-3-pyridinyl)methylamino]methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5H-pyrrolo[3,2-c]pyridin-4-one
CID 166896441
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-isocyano-1,2,4-triazole-3-carboxamide
CID 140929552
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(3-chloroquinolin-6-yl)methyl]-2-(hydroxymethyl)imidazole-4-carboxamide
CID 134178435
1-[(3-chloroquinolin-6-yl)methyl]-3-iodopyrrolo[2,3-c]pyridine-5-carbonitrile
CID 134178374
tert-butyl N-[5-(aminomethyl)-4,6-dimethyl-2-pyridinyl]carbamate;tert-butyl N-[4-[[[1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[3,2-c]pyridine-3-carbonyl]amino]methyl]-3,5-dimethylphenyl]carbamate;1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[3,2-c]pyridine-3-carboxylic acid;deuterio(fluoro)methane;methane
CID 162011596

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-cyanopyrrolo[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-cyanopyrrolo[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 159830221) is zinc;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-cyanopyrrolo[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-cyanopyrrolo[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-cyanopyrrolo[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)cc12.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-cyanopyrrolo[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 KJPHDBCPCYBARR-ZISLHFOPSA-N. The full InChI is InChI=1S/C27H22ClN7O.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;/h3-8,10,12,14H,11,13H2,1-2H3,(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-cyanopyrrolo[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-cyanopyrrolo[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 988.62 g/mol, XLogP of 9.22, 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-cyanopyrrolo[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 159830221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).