2-bromo-6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine;6-bromo-2,3-dihydroisoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(3-methylimidazol-4-yl)-3H-isoindol-1-one;1,5-dimethylimidazole;methane;bis(6-(3-methylimidazol-4-yl)-2,3-dihydroisoindol-1-one)

C72H76Br2N20O4 — CID 159035618

IUPAC2-bromo-6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine;6-bromo-2,3-dihydroisoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(3-methylimidazol-4-yl)-3H-isoindol-1-one;1,5-dimethylimidazole;methane;bis(6-(3-methylimidazol-4-yl)-2,3-dihydroisoindol-1-one)
SMILESBrc1cccc(-c2nncn2C2CC2)n1.C.C.C.Cc1cncn1C.Cn1cncc1-c1ccc2c(c1)C(=O)N(c1cccc(-c3nncn3C3CC3)n1)C2.Cn1cncc1-c1ccc2c(c1)C(=O)NC2.Cn1cncc1-c1ccc2c(c1)C(=O)NC2.O=C1NCc2ccc(Br)cc21
InChIInChI=1S/C22H19N7O.2C12H11N3O.C10H9BrN4.C8H6BrNO.C5H8N2.3CH4/c1-27-12-23-10-19(27)14-5-6-15-11-28(22(30)17(15)9-14)20-4-2-3-18(25-20)21-26-24-13-29(21)16-7-8-16;2*1-15-7-13-6-11(15)8-2-3-9-5-14-12(16)10(9)4-8;11-9-3-1-2-8(13-9)10-14-12-6-15(10)7-4-5-7;9-6-2-1-5-4-10-8(11)7(5)3-6;1-5-3-6-4-7(5)2;;;/h2-6,9-10,12-13,16H,7-8,11H2,1H3;2*2-4,6-7H,5H2,1H3,(H,14,16);1-3,6-7H,4-5H2;1-3H,4H2,(H,10,11);3-4H,1-2H3;3*1H4
InChIKeyJVKQKTPTUOXOKO-UHFFFAOYSA-N
MW1445.34 g/mol
LogP12.66
Rot. Bonds8

About 2-bromo-6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine;6-bromo-2,3-dihydroisoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(3-methylimidazol-4-yl)-3H-isoindol-1-one;1,5-dimethylimidazole;methane;bis(6-(3-methylimidazol-4-yl)-2,3-dihydroisoindol-1-one)

2-bromo-6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine;6-bromo-2,3-dihydroisoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(3-methylimidazol-4-yl)-3H-isoindol-1-one;1,5-dimethylimidazole;methane;bis(6-(3-methylimidazol-4-yl)-2,3-dihydroisoindol-1-one) (PubChem CID 159035618) has the molecular formula C72H76Br2N20O4 and a molecular weight of 1445.34 g/mol. Its IUPAC name is 2-bromo-6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine;6-bromo-2,3-dihydroisoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(3-methylimidazol-4-yl)-3H-isoindol-1-one;1,5-dimethylimidazole;methane;bis(6-(3-methylimidazol-4-yl)-2,3-dihydroisoindol-1-one).

Molecular Properties

Compound Name2-bromo-6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine;6-bromo-2,3-dihydroisoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(3-methylimidazol-4-yl)-3H-isoindol-1-one;1,5-dimethylimidazole;methane;bis(6-(3-methylimidazol-4-yl)-2,3-dihydroisoindol-1-one)
PubChem CID159035618
Molecular FormulaC72H76Br2N20O4
Molecular Weight1445.34 g/mol
Exact Mass1442.47
IUPAC Name2-bromo-6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine;6-bromo-2,3-dihydroisoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(3-methylimidazol-4-yl)-3H-isoindol-1-one;1,5-dimethylimidazole;methane;bis(6-(3-methylimidazol-4-yl)-2,3-dihydroisoindol-1-one)
SMILESBrc1cccc(-c2nncn2C2CC2)n1.C.C.C.Cc1cncn1C.Cn1cncc1-c1ccc2c(c1)C(=O)N(c1cccc(-c3nncn3C3CC3)n1)C2.Cn1cncc1-c1ccc2c(c1)C(=O)NC2.Cn1cncc1-c1ccc2c(c1)C(=O)NC2.O=C1NCc2ccc(Br)cc21
InChIInChI=1S/C22H19N7O.2C12H11N3O.C10H9BrN4.C8H6BrNO.C5H8N2.3CH4/c1-27-12-23-10-19(27)14-5-6-15-11-28(22(30)17(15)9-14)20-4-2-3-18(25-20)21-26-24-13-29(21)16-7-8-16;2*1-15-7-13-6-11(15)8-2-3-9-5-14-12(16)10(9)4-8;11-9-3-1-2-8(13-9)10-14-12-6-15(10)7-4-5-7;9-6-2-1-5-4-10-8(11)7(5)3-6;1-5-3-6-4-7(5)2;;;/h2-6,9-10,12-13,16H,7-8,11H2,1H3;2*2-4,6-7H,5H2,1H3,(H,14,16);1-3,6-7H,4-5H2;1-3H,4H2,(H,10,11);3-4H,1-2H3;3*1H4
InChIKeyJVKQKTPTUOXOKO-UHFFFAOYSA-N
XLogP12.66
TPSA266.09 Ų
H-Bond Donors3
H-Bond Acceptors20
Rotatable Bonds8
Heavy Atoms98
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001445.34
LogP ≤ 512.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-bromo-6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine;6-bromo-2,3-dihydroisoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(3-methylimidazol-4-yl)-3H-isoindol-1-one;1,5-dimethylimidazole;methane;bis(6-(3-methylimidazol-4-yl)-2,3-dihydroisoindol-1-one) with MolForge

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Related Compounds

magnesium;4-[6-bromo-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide;N-cyclopropyl-2-methyl-4-[6-(1-phenylethenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide;ethenylbenzene;bromide
CID 157563773
4-[6-anilino-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide;4-[6-bromo-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide
CID 161434183
CID 164960948
CID 164960948
6-(5-azaspiro[2.4]heptan-5-ylmethyl)-2-[6-(ethylamino)-4-[2-[4-[[2-[4-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-6-[3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]-2-pyridinyl]cyclopropyl]methyl]-1,2,4-triazol-3-yl]phenyl]-2-pyridinyl]-4-(trifluoromethyl)-3H-isoindol-1-one
CID 165411644
5-bromo-2-(2,6-dioxopiperidin-3-yl)-6-[[[1-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-yl]-methylamino]methyl]isoindole-1,3-dione
CID 168872490
6-bromo-5-[[[1-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-yl]-methylamino]methyl]-2-piperidin-3-yl-3H-isoindol-1-one
CID 175906452
1-[2-[[4-[4-[3-[(4-bromophenyl)methylcarbamoyl]azetidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]pyrazol-1-yl]methyl]-6-(1-oxo-2,3-dihydroisoindol-5-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]-3-methyl-N-[(4-methylphenyl)methyl]azetidine-3-carboxamide
CID 145014985
N-[5-[5-bromo-4-[1-[[3-[[5-(2-bromo-4,5-dimethylphenyl)-1-methylimidazol-2-yl]carbamoyl]phenyl]methyl]pyrazol-4-yl]-2-methylphenyl]-1-methylimidazol-2-yl]-3-(pyrazol-1-ylmethyl)benzamide
CID 154681639
2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-N,N-dimethyl-1-oxo-3H-isoindole-5-carboxamide;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(1-methylimidazol-4-yl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(1-methylpyrazol-3-yl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(2-methylpyrazol-3-yl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(1H-pyrazol-5-yl)-3H-isoindol-1-one
CID 157432534
6-bromo-2,3-dihydroisoindol-1-one;bis(2-bromo-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine);N'-[2-(6-bromo-2-pyridinyl)-2-oxoethyl]-N,N-dimethylmethanimidamide;propan-2-amine;2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyridin-4-yl-3H-isoindol-1-one;pyridin-3-ylboronic acid;6-pyridin-4-yl-2,3-dihydroisoindol-1-one
CID 157542299
CID 157582270
CID 157582270
2-bromo-6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(1-methylpyrazol-3-yl)-3H-isoindol-1-one;5-(1-methylpyrazol-3-yl)-2,3-dihydroisoindol-1-one
CID 157645270

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine;6-bromo-2,3-dihydroisoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(3-methylimidazol-4-yl)-3H-isoindol-1-one;1,5-dimethylimidazole;methane;bis(6-(3-methylimidazol-4-yl)-2,3-dihydroisoindol-1-one)?
The IUPAC name of 2-bromo-6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine;6-bromo-2,3-dihydroisoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(3-methylimidazol-4-yl)-3H-isoindol-1-one;1,5-dimethylimidazole;methane;bis(6-(3-methylimidazol-4-yl)-2,3-dihydroisoindol-1-one) (CID 159035618) is 2-bromo-6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine;6-bromo-2,3-dihydroisoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(3-methylimidazol-4-yl)-3H-isoindol-1-one;1,5-dimethylimidazole;methane;bis(6-(3-methylimidazol-4-yl)-2,3-dihydroisoindol-1-one).
What is the SMILES notation for 2-bromo-6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine;6-bromo-2,3-dihydroisoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(3-methylimidazol-4-yl)-3H-isoindol-1-one;1,5-dimethylimidazole;methane;bis(6-(3-methylimidazol-4-yl)-2,3-dihydroisoindol-1-one)?
The canonical SMILES for 2-bromo-6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine;6-bromo-2,3-dihydroisoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(3-methylimidazol-4-yl)-3H-isoindol-1-one;1,5-dimethylimidazole;methane;bis(6-(3-methylimidazol-4-yl)-2,3-dihydroisoindol-1-one) is Brc1cccc(-c2nncn2C2CC2)n1.C.C.C.Cc1cncn1C.Cn1cncc1-c1ccc2c(c1)C(=O)N(c1cccc(-c3nncn3C3CC3)n1)C2.Cn1cncc1-c1ccc2c(c1)C(=O)NC2.Cn1cncc1-c1ccc2c(c1)C(=O)NC2.O=C1NCc2ccc(Br)cc21.
What is the InChIKey of 2-bromo-6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine;6-bromo-2,3-dihydroisoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(3-methylimidazol-4-yl)-3H-isoindol-1-one;1,5-dimethylimidazole;methane;bis(6-(3-methylimidazol-4-yl)-2,3-dihydroisoindol-1-one)?
The InChIKey is JVKQKTPTUOXOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N7O.2C12H11N3O.C10H9BrN4.C8H6BrNO.C5H8N2.3CH4/c1-27-12-23-10-19(27)14-5-6-15-11-28(22(30)17(15)9-14)20-4-2-3-18(25-20)21-26-24-13-29(21)16-7-8-16;2*1-15-7-13-6-11(15)8-2-3-9-5-14-12(16)10(9)4-8;11-9-3-1-2-8(13-9)10-14-12-6-15(10)7-4-5-7;9-6-2-1-5-4-10-8(11)7(5)3-6;1-5-3-6-4-7(5)2;;;/h2-6,9-10,12-13,16H,7-8,11H2,1H3;2*2-4,6-7H,5H2,1H3,(H,14,16);1-3,6-7H,4-5H2;1-3H,4H2,(H,10,11);3-4H,1-2H3;3*1H4.
What are the key properties of 2-bromo-6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine;6-bromo-2,3-dihydroisoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(3-methylimidazol-4-yl)-3H-isoindol-1-one;1,5-dimethylimidazole;methane;bis(6-(3-methylimidazol-4-yl)-2,3-dihydroisoindol-1-one)?
2-bromo-6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine;6-bromo-2,3-dihydroisoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(3-methylimidazol-4-yl)-3H-isoindol-1-one;1,5-dimethylimidazole;methane;bis(6-(3-methylimidazol-4-yl)-2,3-dihydroisoindol-1-one) has a molecular weight of 1445.34 g/mol, XLogP of 12.66, 8 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine;6-bromo-2,3-dihydroisoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(3-methylimidazol-4-yl)-3H-isoindol-1-one;1,5-dimethylimidazole;methane;bis(6-(3-methylimidazol-4-yl)-2,3-dihydroisoindol-1-one) is sourced from PubChem (CID 159035618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).