2-bromo-1-(6-methyl-2-pyridinyl)ethanone;N-[5-bromo-4-(6-methyl-2-pyridinyl)-1H-pyrrol-2-yl]acetamide;deuterio(fluoro)methane;N-(diaminomethylidene)acetamide;N-[4-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]acetamide;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;N-[5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]acetamide

C68H73BBr2FN21O7 — CID 159717057

IUPAC2-bromo-1-(6-methyl-2-pyridinyl)ethanone;N-[5-bromo-4-(6-methyl-2-pyridinyl)-1H-pyrrol-2-yl]acetamide;deuterio(fluoro)methane;N-(diaminomethylidene)acetamide;N-[4-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]acetamide;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;N-[5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]acetamide
SMILESCC(=O)N=C(N)N.CC(=O)Nc1cc(-c2cccc(C)n2)c(Br)[nH]1.CC(=O)Nc1ncc(-c2cccc(C)n2)[nH]1.Cc1cccc(C(=O)CBr)n1.[2H]CF.[C-]#[N+]c1cnc2ccc(-c3nc(NC(C)=O)[nH]c3-c3cccc(C)n3)cn12.[C-]#[N+]c1cnc2ccc(B3OC(C)(C)C(C)(C)O3)cn12
InChIInChI=1S/C19H15N7O.C14H16BN3O2.C12H12BrN3O.C11H12N4O.C8H8BrNO.C3H7N3O.CH3F/c1-11-5-4-6-14(22-11)18-17(24-19(25-18)23-12(2)27)13-7-8-15-21-9-16(20-3)26(15)10-13;1-13(2)14(3,4)20-15(19-13)10-6-7-11-17-8-12(16-5)18(11)9-10;1-7-4-3-5-10(14-7)9-6-11(15-8(2)17)16-12(9)13;1-7-4-3-5-9(13-7)10-6-12-11(15-10)14-8(2)16;1-6-3-2-4-7(10-6)8(11)5-9;1-2(7)6-3(4)5;1-2/h4-10H,1-2H3,(H2,23,24,25,27);6-9H,1-4H3;3-6,16H,1-2H3,(H,15,17);3-6H,1-2H3,(H2,12,14,15,16);2-4H,5H2,1H3;1H3,(H4,4,5,6,7);1H3/i;;;;;;1D
InChIKeyMZOKBMGXANPVEU-YHUGICHZSA-N
MW1487.10 g/mol
LogP11.99
Rot. Bonds10

About 2-bromo-1-(6-methyl-2-pyridinyl)ethanone;N-[5-bromo-4-(6-methyl-2-pyridinyl)-1H-pyrrol-2-yl]acetamide;deuterio(fluoro)methane;N-(diaminomethylidene)acetamide;N-[4-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]acetamide;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;N-[5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]acetamide

2-bromo-1-(6-methyl-2-pyridinyl)ethanone;N-[5-bromo-4-(6-methyl-2-pyridinyl)-1H-pyrrol-2-yl]acetamide;deuterio(fluoro)methane;N-(diaminomethylidene)acetamide;N-[4-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]acetamide;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;N-[5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]acetamide (PubChem CID 159717057) has the molecular formula C68H73BBr2FN21O7 and a molecular weight of 1487.10 g/mol. Its IUPAC name is 2-bromo-1-(6-methyl-2-pyridinyl)ethanone;N-[5-bromo-4-(6-methyl-2-pyridinyl)-1H-pyrrol-2-yl]acetamide;deuterio(fluoro)methane;N-(diaminomethylidene)acetamide;N-[4-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]acetamide;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;N-[5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]acetamide.

Molecular Properties

Compound Name2-bromo-1-(6-methyl-2-pyridinyl)ethanone;N-[5-bromo-4-(6-methyl-2-pyridinyl)-1H-pyrrol-2-yl]acetamide;deuterio(fluoro)methane;N-(diaminomethylidene)acetamide;N-[4-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]acetamide;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;N-[5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]acetamide
PubChem CID159717057
Molecular FormulaC68H73BBr2FN21O7
Molecular Weight1487.10 g/mol
Exact Mass1484.45
IUPAC Name2-bromo-1-(6-methyl-2-pyridinyl)ethanone;N-[5-bromo-4-(6-methyl-2-pyridinyl)-1H-pyrrol-2-yl]acetamide;deuterio(fluoro)methane;N-(diaminomethylidene)acetamide;N-[4-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]acetamide;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;N-[5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]acetamide
SMILESCC(=O)N=C(N)N.CC(=O)Nc1cc(-c2cccc(C)n2)c(Br)[nH]1.CC(=O)Nc1ncc(-c2cccc(C)n2)[nH]1.Cc1cccc(C(=O)CBr)n1.[2H]CF.[C-]#[N+]c1cnc2ccc(-c3nc(NC(C)=O)[nH]c3-c3cccc(C)n3)cn12.[C-]#[N+]c1cnc2ccc(B3OC(C)(C)C(C)(C)O3)cn12
InChIInChI=1S/C19H15N7O.C14H16BN3O2.C12H12BrN3O.C11H12N4O.C8H8BrNO.C3H7N3O.CH3F/c1-11-5-4-6-14(22-11)18-17(24-19(25-18)23-12(2)27)13-7-8-15-21-9-16(20-3)26(15)10-13;1-13(2)14(3,4)20-15(19-13)10-6-7-11-17-8-12(16-5)18(11)9-10;1-7-4-3-5-10(14-7)9-6-11(15-8(2)17)16-12(9)13;1-7-4-3-5-9(13-7)10-6-12-11(15-10)14-8(2)16;1-6-3-2-4-7(10-6)8(11)5-9;1-2(7)6-3(4)5;1-2/h4-10H,1-2H3,(H2,23,24,25,27);6-9H,1-4H3;3-6,16H,1-2H3,(H,15,17);3-6H,1-2H3,(H2,12,14,15,16);2-4H,5H2,1H3;1H3,(H4,4,5,6,7);1H3/i;;;;;;1D
InChIKeyMZOKBMGXANPVEU-YHUGICHZSA-N
XLogP11.99
TPSA372.33 Ų
H-Bond Donors8
H-Bond Acceptors17
Rotatable Bonds10
Heavy Atoms100
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001487.10
LogP ≤ 511.99
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-bromo-1-(6-methyl-2-pyridinyl)ethanone;N-[5-bromo-4-(6-methyl-2-pyridinyl)-1H-pyrrol-2-yl]acetamide;deuterio(fluoro)methane;N-(diaminomethylidene)acetamide;N-[4-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]acetamide;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;N-[5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(6-methyl-2-pyridinyl)ethanone;N-[5-bromo-4-(6-methyl-2-pyridinyl)-1H-pyrrol-2-yl]acetamide;deuterio(fluoro)methane;N-(diaminomethylidene)acetamide;N-[4-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]acetamide;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;N-[5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]acetamide?
The IUPAC name of 2-bromo-1-(6-methyl-2-pyridinyl)ethanone;N-[5-bromo-4-(6-methyl-2-pyridinyl)-1H-pyrrol-2-yl]acetamide;deuterio(fluoro)methane;N-(diaminomethylidene)acetamide;N-[4-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]acetamide;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;N-[5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]acetamide (CID 159717057) is 2-bromo-1-(6-methyl-2-pyridinyl)ethanone;N-[5-bromo-4-(6-methyl-2-pyridinyl)-1H-pyrrol-2-yl]acetamide;deuterio(fluoro)methane;N-(diaminomethylidene)acetamide;N-[4-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]acetamide;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;N-[5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]acetamide.
What is the SMILES notation for 2-bromo-1-(6-methyl-2-pyridinyl)ethanone;N-[5-bromo-4-(6-methyl-2-pyridinyl)-1H-pyrrol-2-yl]acetamide;deuterio(fluoro)methane;N-(diaminomethylidene)acetamide;N-[4-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]acetamide;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;N-[5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]acetamide?
The canonical SMILES for 2-bromo-1-(6-methyl-2-pyridinyl)ethanone;N-[5-bromo-4-(6-methyl-2-pyridinyl)-1H-pyrrol-2-yl]acetamide;deuterio(fluoro)methane;N-(diaminomethylidene)acetamide;N-[4-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]acetamide;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;N-[5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]acetamide is CC(=O)N=C(N)N.CC(=O)Nc1cc(-c2cccc(C)n2)c(Br)[nH]1.CC(=O)Nc1ncc(-c2cccc(C)n2)[nH]1.Cc1cccc(C(=O)CBr)n1.[2H]CF.[C-]#[N+]c1cnc2ccc(-c3nc(NC(C)=O)[nH]c3-c3cccc(C)n3)cn12.[C-]#[N+]c1cnc2ccc(B3OC(C)(C)C(C)(C)O3)cn12.
What is the InChIKey of 2-bromo-1-(6-methyl-2-pyridinyl)ethanone;N-[5-bromo-4-(6-methyl-2-pyridinyl)-1H-pyrrol-2-yl]acetamide;deuterio(fluoro)methane;N-(diaminomethylidene)acetamide;N-[4-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]acetamide;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;N-[5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]acetamide?
The InChIKey is MZOKBMGXANPVEU-YHUGICHZSA-N. The full InChI is InChI=1S/C19H15N7O.C14H16BN3O2.C12H12BrN3O.C11H12N4O.C8H8BrNO.C3H7N3O.CH3F/c1-11-5-4-6-14(22-11)18-17(24-19(25-18)23-12(2)27)13-7-8-15-21-9-16(20-3)26(15)10-13;1-13(2)14(3,4)20-15(19-13)10-6-7-11-17-8-12(16-5)18(11)9-10;1-7-4-3-5-10(14-7)9-6-11(15-8(2)17)16-12(9)13;1-7-4-3-5-9(13-7)10-6-12-11(15-10)14-8(2)16;1-6-3-2-4-7(10-6)8(11)5-9;1-2(7)6-3(4)5;1-2/h4-10H,1-2H3,(H2,23,24,25,27);6-9H,1-4H3;3-6,16H,1-2H3,(H,15,17);3-6H,1-2H3,(H2,12,14,15,16);2-4H,5H2,1H3;1H3,(H4,4,5,6,7);1H3/i;;;;;;1D.
What are the key properties of 2-bromo-1-(6-methyl-2-pyridinyl)ethanone;N-[5-bromo-4-(6-methyl-2-pyridinyl)-1H-pyrrol-2-yl]acetamide;deuterio(fluoro)methane;N-(diaminomethylidene)acetamide;N-[4-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]acetamide;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;N-[5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]acetamide?
2-bromo-1-(6-methyl-2-pyridinyl)ethanone;N-[5-bromo-4-(6-methyl-2-pyridinyl)-1H-pyrrol-2-yl]acetamide;deuterio(fluoro)methane;N-(diaminomethylidene)acetamide;N-[4-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]acetamide;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;N-[5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]acetamide has a molecular weight of 1487.10 g/mol, XLogP of 11.99, 10 rotatable bonds, 8 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(6-methyl-2-pyridinyl)ethanone;N-[5-bromo-4-(6-methyl-2-pyridinyl)-1H-pyrrol-2-yl]acetamide;deuterio(fluoro)methane;N-(diaminomethylidene)acetamide;N-[4-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]acetamide;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;N-[5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]acetamide is sourced from PubChem (CID 159717057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).