4-bromo-2-(2-imidazo[1,2-a]pyridin-2-ylpropyl)-3H-isoindol-1-one;2-(4-bromo-2-methyl-3-oxobutyl)isoindole-1,3-dione;2-(2-imidazo[1,2-a]pyridin-2-ylpropyl)isoindole-1,3-dione;2-(2-imidazo[1,2-a]pyridin-2-ylpropyl)-4-(1,3-oxazol-2-yl)-3H-isoindol-1-one;isoindole-1,3-dione;methyl 3-bromo-2-(bromomethyl)benzoate;3-methylbut-3-en-2-one;2-methyl-1,3-oxazole;2-(2-methyl-3-oxobutyl)isoindole-1,3-dione;pyridin-2-amine

C114H106Br4N16O17 — CID 159262114

IUPAC4-bromo-2-(2-imidazo[1,2-a]pyridin-2-ylpropyl)-3H-isoindol-1-one;2-(4-bromo-2-methyl-3-oxobutyl)isoindole-1,3-dione;2-(2-imidazo[1,2-a]pyridin-2-ylpropyl)isoindole-1,3-dione;2-(2-imidazo[1,2-a]pyridin-2-ylpropyl)-4-(1,3-oxazol-2-yl)-3H-isoindol-1-one;isoindole-1,3-dione;methyl 3-bromo-2-(bromomethyl)benzoate;3-methylbut-3-en-2-one;2-methyl-1,3-oxazole;2-(2-methyl-3-oxobutyl)isoindole-1,3-dione;pyridin-2-amine
SMILESC=C(C)C(C)=O.CC(=O)C(C)CN1C(=O)c2ccccc2C1=O.CC(CN1C(=O)c2ccccc2C1=O)C(=O)CBr.CC(CN1C(=O)c2ccccc2C1=O)c1cn2ccccc2n1.CC(CN1Cc2c(Br)cccc2C1=O)c1cn2ccccc2n1.CC(CN1Cc2c(cccc2-c2ncco2)C1=O)c1cn2ccccc2n1.COC(=O)c1cccc(Br)c1CBr.Cc1ncco1.Nc1ccccn1.O=C1NC(=O)c2ccccc21
InChIInChI=1S/C21H18N4O2.C18H16BrN3O.C18H15N3O2.C13H12BrNO3.C13H13NO3.C9H8Br2O2.C8H5NO2.C5H6N2.C5H8O.C4H5NO/c1-14(18-13-24-9-3-2-7-19(24)23-18)11-25-12-17-15(20-22-8-10-27-20)5-4-6-16(17)21(25)26;1-12(16-11-21-8-3-2-7-17(21)20-16)9-22-10-14-13(18(22)23)5-4-6-15(14)19;1-12(15-11-20-9-5-4-8-16(20)19-15)10-21-17(22)13-6-2-3-7-14(13)18(21)23;1-8(11(16)6-14)7-15-12(17)9-4-2-3-5-10(9)13(15)18;1-8(9(2)15)7-14-12(16)10-5-3-4-6-11(10)13(14)17;1-13-9(12)6-3-2-4-8(11)7(6)5-10;10-7-5-3-1-2-4-6(5)8(11)9-7;6-5-3-1-2-4-7-5;1-4(2)5(3)6;1-4-5-2-3-6-4/h2-10,13-14H,11-12H2,1H3;2-8,11-12H,9-10H2,1H3;2-9,11-12H,10H2,1H3;2-5,8H,6-7H2,1H3;3-6,8H,7H2,1-2H3;2-4H,5H2,1H3;1-4H,(H,9,10,11);1-4H,(H2,6,7);1H2,2-3H3;2-3H,1H3
InChIKeyKWQKDJPVDNQUOV-UHFFFAOYSA-N
MW2291.81 g/mol
LogP20.23
Rot. Bonds20

About 4-bromo-2-(2-imidazo[1,2-a]pyridin-2-ylpropyl)-3H-isoindol-1-one;2-(4-bromo-2-methyl-3-oxobutyl)isoindole-1,3-dione;2-(2-imidazo[1,2-a]pyridin-2-ylpropyl)isoindole-1,3-dione;2-(2-imidazo[1,2-a]pyridin-2-ylpropyl)-4-(1,3-oxazol-2-yl)-3H-isoindol-1-one;isoindole-1,3-dione;methyl 3-bromo-2-(bromomethyl)benzoate;3-methylbut-3-en-2-one;2-methyl-1,3-oxazole;2-(2-methyl-3-oxobutyl)isoindole-1,3-dione;pyridin-2-amine

4-bromo-2-(2-imidazo[1,2-a]pyridin-2-ylpropyl)-3H-isoindol-1-one;2-(4-bromo-2-methyl-3-oxobutyl)isoindole-1,3-dione;2-(2-imidazo[1,2-a]pyridin-2-ylpropyl)isoindole-1,3-dione;2-(2-imidazo[1,2-a]pyridin-2-ylpropyl)-4-(1,3-oxazol-2-yl)-3H-isoindol-1-one;isoindole-1,3-dione;methyl 3-bromo-2-(bromomethyl)benzoate;3-methylbut-3-en-2-one;2-methyl-1,3-oxazole;2-(2-methyl-3-oxobutyl)isoindole-1,3-dione;pyridin-2-amine (PubChem CID 159262114) has the molecular formula C114H106Br4N16O17 and a molecular weight of 2291.81 g/mol. Its IUPAC name is 4-bromo-2-(2-imidazo[1,2-a]pyridin-2-ylpropyl)-3H-isoindol-1-one;2-(4-bromo-2-methyl-3-oxobutyl)isoindole-1,3-dione;2-(2-imidazo[1,2-a]pyridin-2-ylpropyl)isoindole-1,3-dione;2-(2-imidazo[1,2-a]pyridin-2-ylpropyl)-4-(1,3-oxazol-2-yl)-3H-isoindol-1-one;isoindole-1,3-dione;methyl 3-bromo-2-(bromomethyl)benzoate;3-methylbut-3-en-2-one;2-methyl-1,3-oxazole;2-(2-methyl-3-oxobutyl)isoindole-1,3-dione;pyridin-2-amine.

Molecular Properties

Compound Name4-bromo-2-(2-imidazo[1,2-a]pyridin-2-ylpropyl)-3H-isoindol-1-one;2-(4-bromo-2-methyl-3-oxobutyl)isoindole-1,3-dione;2-(2-imidazo[1,2-a]pyridin-2-ylpropyl)isoindole-1,3-dione;2-(2-imidazo[1,2-a]pyridin-2-ylpropyl)-4-(1,3-oxazol-2-yl)-3H-isoindol-1-one;isoindole-1,3-dione;methyl 3-bromo-2-(bromomethyl)benzoate;3-methylbut-3-en-2-one;2-methyl-1,3-oxazole;2-(2-methyl-3-oxobutyl)isoindole-1,3-dione;pyridin-2-amine
PubChem CID159262114
Molecular FormulaC114H106Br4N16O17
Molecular Weight2291.81 g/mol
Exact Mass2286.47
IUPAC Name4-bromo-2-(2-imidazo[1,2-a]pyridin-2-ylpropyl)-3H-isoindol-1-one;2-(4-bromo-2-methyl-3-oxobutyl)isoindole-1,3-dione;2-(2-imidazo[1,2-a]pyridin-2-ylpropyl)isoindole-1,3-dione;2-(2-imidazo[1,2-a]pyridin-2-ylpropyl)-4-(1,3-oxazol-2-yl)-3H-isoindol-1-one;isoindole-1,3-dione;methyl 3-bromo-2-(bromomethyl)benzoate;3-methylbut-3-en-2-one;2-methyl-1,3-oxazole;2-(2-methyl-3-oxobutyl)isoindole-1,3-dione;pyridin-2-amine
SMILESC=C(C)C(C)=O.CC(=O)C(C)CN1C(=O)c2ccccc2C1=O.CC(CN1C(=O)c2ccccc2C1=O)C(=O)CBr.CC(CN1C(=O)c2ccccc2C1=O)c1cn2ccccc2n1.CC(CN1Cc2c(Br)cccc2C1=O)c1cn2ccccc2n1.CC(CN1Cc2c(cccc2-c2ncco2)C1=O)c1cn2ccccc2n1.COC(=O)c1cccc(Br)c1CBr.Cc1ncco1.Nc1ccccn1.O=C1NC(=O)c2ccccc21
InChIInChI=1S/C21H18N4O2.C18H16BrN3O.C18H15N3O2.C13H12BrNO3.C13H13NO3.C9H8Br2O2.C8H5NO2.C5H6N2.C5H8O.C4H5NO/c1-14(18-13-24-9-3-2-7-19(24)23-18)11-25-12-17-15(20-22-8-10-27-20)5-4-6-16(17)21(25)26;1-12(16-11-21-8-3-2-7-17(21)20-16)9-22-10-14-13(18(22)23)5-4-6-15(14)19;1-12(15-11-20-9-5-4-8-16(20)19-15)10-21-17(22)13-6-2-3-7-14(13)18(21)23;1-8(11(16)6-14)7-15-12(17)9-4-2-3-5-10(9)13(15)18;1-8(9(2)15)7-14-12(16)10-5-3-4-6-11(10)13(14)17;1-13-9(12)6-3-2-4-8(11)7(6)5-10;10-7-5-3-1-2-4-6(5)8(11)9-7;6-5-3-1-2-4-7-5;1-4(2)5(3)6;1-4-5-2-3-6-4/h2-10,13-14H,11-12H2,1H3;2-8,11-12H,9-10H2,1H3;2-9,11-12H,10H2,1H3;2-5,8H,6-7H2,1H3;3-6,8H,7H2,1-2H3;2-4H,5H2,1H3;1-4H,(H,9,10,11);1-4H,(H2,6,7);1H2,2-3H3;2-3H,1H3
InChIKeyKWQKDJPVDNQUOV-UHFFFAOYSA-N
XLogP20.23
TPSA419.31 Ų
H-Bond Donors2
H-Bond Acceptors27
Rotatable Bonds20
Heavy Atoms151
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002291.81
LogP ≤ 520.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 4-bromo-2-(2-imidazo[1,2-a]pyridin-2-ylpropyl)-3H-isoindol-1-one;2-(4-bromo-2-methyl-3-oxobutyl)isoindole-1,3-dione;2-(2-imidazo[1,2-a]pyridin-2-ylpropyl)isoindole-1,3-dione;2-(2-imidazo[1,2-a]pyridin-2-ylpropyl)-4-(1,3-oxazol-2-yl)-3H-isoindol-1-one;isoindole-1,3-dione;methyl 3-bromo-2-(bromomethyl)benzoate;3-methylbut-3-en-2-one;2-methyl-1,3-oxazole;2-(2-methyl-3-oxobutyl)isoindole-1,3-dione;pyridin-2-amine with MolForge

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Related Compounds

1-(3-bromo-2-fluorophenyl)ethanone;bis(5-(3-bromo-2-fluorophenyl)-2-methyl-1,3-oxazole);7-(dibenzylamino)-2-[2-fluoro-3-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;methyl 7-(dibenzylamino)-2-[2-fluoro-3-(2-methyl-1,3-oxazol-5-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate
CID 165070081

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(2-imidazo[1,2-a]pyridin-2-ylpropyl)-3H-isoindol-1-one;2-(4-bromo-2-methyl-3-oxobutyl)isoindole-1,3-dione;2-(2-imidazo[1,2-a]pyridin-2-ylpropyl)isoindole-1,3-dione;2-(2-imidazo[1,2-a]pyridin-2-ylpropyl)-4-(1,3-oxazol-2-yl)-3H-isoindol-1-one;isoindole-1,3-dione;methyl 3-bromo-2-(bromomethyl)benzoate;3-methylbut-3-en-2-one;2-methyl-1,3-oxazole;2-(2-methyl-3-oxobutyl)isoindole-1,3-dione;pyridin-2-amine?
The IUPAC name of 4-bromo-2-(2-imidazo[1,2-a]pyridin-2-ylpropyl)-3H-isoindol-1-one;2-(4-bromo-2-methyl-3-oxobutyl)isoindole-1,3-dione;2-(2-imidazo[1,2-a]pyridin-2-ylpropyl)isoindole-1,3-dione;2-(2-imidazo[1,2-a]pyridin-2-ylpropyl)-4-(1,3-oxazol-2-yl)-3H-isoindol-1-one;isoindole-1,3-dione;methyl 3-bromo-2-(bromomethyl)benzoate;3-methylbut-3-en-2-one;2-methyl-1,3-oxazole;2-(2-methyl-3-oxobutyl)isoindole-1,3-dione;pyridin-2-amine (CID 159262114) is 4-bromo-2-(2-imidazo[1,2-a]pyridin-2-ylpropyl)-3H-isoindol-1-one;2-(4-bromo-2-methyl-3-oxobutyl)isoindole-1,3-dione;2-(2-imidazo[1,2-a]pyridin-2-ylpropyl)isoindole-1,3-dione;2-(2-imidazo[1,2-a]pyridin-2-ylpropyl)-4-(1,3-oxazol-2-yl)-3H-isoindol-1-one;isoindole-1,3-dione;methyl 3-bromo-2-(bromomethyl)benzoate;3-methylbut-3-en-2-one;2-methyl-1,3-oxazole;2-(2-methyl-3-oxobutyl)isoindole-1,3-dione;pyridin-2-amine.
What is the SMILES notation for 4-bromo-2-(2-imidazo[1,2-a]pyridin-2-ylpropyl)-3H-isoindol-1-one;2-(4-bromo-2-methyl-3-oxobutyl)isoindole-1,3-dione;2-(2-imidazo[1,2-a]pyridin-2-ylpropyl)isoindole-1,3-dione;2-(2-imidazo[1,2-a]pyridin-2-ylpropyl)-4-(1,3-oxazol-2-yl)-3H-isoindol-1-one;isoindole-1,3-dione;methyl 3-bromo-2-(bromomethyl)benzoate;3-methylbut-3-en-2-one;2-methyl-1,3-oxazole;2-(2-methyl-3-oxobutyl)isoindole-1,3-dione;pyridin-2-amine?
The canonical SMILES for 4-bromo-2-(2-imidazo[1,2-a]pyridin-2-ylpropyl)-3H-isoindol-1-one;2-(4-bromo-2-methyl-3-oxobutyl)isoindole-1,3-dione;2-(2-imidazo[1,2-a]pyridin-2-ylpropyl)isoindole-1,3-dione;2-(2-imidazo[1,2-a]pyridin-2-ylpropyl)-4-(1,3-oxazol-2-yl)-3H-isoindol-1-one;isoindole-1,3-dione;methyl 3-bromo-2-(bromomethyl)benzoate;3-methylbut-3-en-2-one;2-methyl-1,3-oxazole;2-(2-methyl-3-oxobutyl)isoindole-1,3-dione;pyridin-2-amine is C=C(C)C(C)=O.CC(=O)C(C)CN1C(=O)c2ccccc2C1=O.CC(CN1C(=O)c2ccccc2C1=O)C(=O)CBr.CC(CN1C(=O)c2ccccc2C1=O)c1cn2ccccc2n1.CC(CN1Cc2c(Br)cccc2C1=O)c1cn2ccccc2n1.CC(CN1Cc2c(cccc2-c2ncco2)C1=O)c1cn2ccccc2n1.COC(=O)c1cccc(Br)c1CBr.Cc1ncco1.Nc1ccccn1.O=C1NC(=O)c2ccccc21.
What is the InChIKey of 4-bromo-2-(2-imidazo[1,2-a]pyridin-2-ylpropyl)-3H-isoindol-1-one;2-(4-bromo-2-methyl-3-oxobutyl)isoindole-1,3-dione;2-(2-imidazo[1,2-a]pyridin-2-ylpropyl)isoindole-1,3-dione;2-(2-imidazo[1,2-a]pyridin-2-ylpropyl)-4-(1,3-oxazol-2-yl)-3H-isoindol-1-one;isoindole-1,3-dione;methyl 3-bromo-2-(bromomethyl)benzoate;3-methylbut-3-en-2-one;2-methyl-1,3-oxazole;2-(2-methyl-3-oxobutyl)isoindole-1,3-dione;pyridin-2-amine?
The InChIKey is KWQKDJPVDNQUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2.C18H16BrN3O.C18H15N3O2.C13H12BrNO3.C13H13NO3.C9H8Br2O2.C8H5NO2.C5H6N2.C5H8O.C4H5NO/c1-14(18-13-24-9-3-2-7-19(24)23-18)11-25-12-17-15(20-22-8-10-27-20)5-4-6-16(17)21(25)26;1-12(16-11-21-8-3-2-7-17(21)20-16)9-22-10-14-13(18(22)23)5-4-6-15(14)19;1-12(15-11-20-9-5-4-8-16(20)19-15)10-21-17(22)13-6-2-3-7-14(13)18(21)23;1-8(11(16)6-14)7-15-12(17)9-4-2-3-5-10(9)13(15)18;1-8(9(2)15)7-14-12(16)10-5-3-4-6-11(10)13(14)17;1-13-9(12)6-3-2-4-8(11)7(6)5-10;10-7-5-3-1-2-4-6(5)8(11)9-7;6-5-3-1-2-4-7-5;1-4(2)5(3)6;1-4-5-2-3-6-4/h2-10,13-14H,11-12H2,1H3;2-8,11-12H,9-10H2,1H3;2-9,11-12H,10H2,1H3;2-5,8H,6-7H2,1H3;3-6,8H,7H2,1-2H3;2-4H,5H2,1H3;1-4H,(H,9,10,11);1-4H,(H2,6,7);1H2,2-3H3;2-3H,1H3.
What are the key properties of 4-bromo-2-(2-imidazo[1,2-a]pyridin-2-ylpropyl)-3H-isoindol-1-one;2-(4-bromo-2-methyl-3-oxobutyl)isoindole-1,3-dione;2-(2-imidazo[1,2-a]pyridin-2-ylpropyl)isoindole-1,3-dione;2-(2-imidazo[1,2-a]pyridin-2-ylpropyl)-4-(1,3-oxazol-2-yl)-3H-isoindol-1-one;isoindole-1,3-dione;methyl 3-bromo-2-(bromomethyl)benzoate;3-methylbut-3-en-2-one;2-methyl-1,3-oxazole;2-(2-methyl-3-oxobutyl)isoindole-1,3-dione;pyridin-2-amine?
4-bromo-2-(2-imidazo[1,2-a]pyridin-2-ylpropyl)-3H-isoindol-1-one;2-(4-bromo-2-methyl-3-oxobutyl)isoindole-1,3-dione;2-(2-imidazo[1,2-a]pyridin-2-ylpropyl)isoindole-1,3-dione;2-(2-imidazo[1,2-a]pyridin-2-ylpropyl)-4-(1,3-oxazol-2-yl)-3H-isoindol-1-one;isoindole-1,3-dione;methyl 3-bromo-2-(bromomethyl)benzoate;3-methylbut-3-en-2-one;2-methyl-1,3-oxazole;2-(2-methyl-3-oxobutyl)isoindole-1,3-dione;pyridin-2-amine has a molecular weight of 2291.81 g/mol, XLogP of 20.23, 20 rotatable bonds, 2 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(2-imidazo[1,2-a]pyridin-2-ylpropyl)-3H-isoindol-1-one;2-(4-bromo-2-methyl-3-oxobutyl)isoindole-1,3-dione;2-(2-imidazo[1,2-a]pyridin-2-ylpropyl)isoindole-1,3-dione;2-(2-imidazo[1,2-a]pyridin-2-ylpropyl)-4-(1,3-oxazol-2-yl)-3H-isoindol-1-one;isoindole-1,3-dione;methyl 3-bromo-2-(bromomethyl)benzoate;3-methylbut-3-en-2-one;2-methyl-1,3-oxazole;2-(2-methyl-3-oxobutyl)isoindole-1,3-dione;pyridin-2-amine is sourced from PubChem (CID 159262114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).