6-azido-2,3-dihydroisoindol-1-one;2-bromo-6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine;6-bromo-2,3-dihydroisoindol-1-one;6-(4-cyclopropyltriazol-1-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(4-cyclopropyltriazol-1-yl)-2,3-dihydroisoindol-1-one;ethynylcyclopropane

C67H59Br2N21O4 — CID 159117763

IUPAC6-azido-2,3-dihydroisoindol-1-one;2-bromo-6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine;6-bromo-2,3-dihydroisoindol-1-one;6-(4-cyclopropyltriazol-1-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(4-cyclopropyltriazol-1-yl)-2,3-dihydroisoindol-1-one;ethynylcyclopropane
SMILESBrc1cccc(-c2nncn2C2CC2)n1.C#CC1CC1.O=C1NCc2ccc(-n3cc(C4CC4)nn3)cc21.O=C1NCc2ccc(Br)cc21.O=C1c2cc(-n3cc(C4CC4)nn3)ccc2CN1c1cccc(-c2nncn2C2CC2)n1.[N-]=[N+]=Nc1ccc2c(c1)C(=O)NC2
InChIInChI=1S/C23H20N8O.C13H12N4O.C10H9BrN4.C8H6BrNO.C8H6N4O.C5H6/c32-23-18-10-17(31-12-20(26-28-31)14-4-5-14)7-6-15(18)11-29(23)21-3-1-2-19(25-21)22-27-24-13-30(22)16-8-9-16;18-13-11-5-10(4-3-9(11)6-14-13)17-7-12(15-16-17)8-1-2-8;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;9-12-11-6-2-1-5-4-10-8(13)7(5)3-6;1-2-5-3-4-5/h1-3,6-7,10,12-14,16H,4-5,8-9,11H2;3-5,7-8H,1-2,6H2,(H,14,18);1-3,6-7H,4-5H2;1-3H,4H2,(H,10,11);1-3H,4H2,(H,10,13);1,5H,3-4H2
InChIKeyKFHJLWUNLDOURQ-UHFFFAOYSA-N
MW1382.16 g/mol
LogP11.71
Rot. Bonds10

About 6-azido-2,3-dihydroisoindol-1-one;2-bromo-6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine;6-bromo-2,3-dihydroisoindol-1-one;6-(4-cyclopropyltriazol-1-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(4-cyclopropyltriazol-1-yl)-2,3-dihydroisoindol-1-one;ethynylcyclopropane

6-azido-2,3-dihydroisoindol-1-one;2-bromo-6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine;6-bromo-2,3-dihydroisoindol-1-one;6-(4-cyclopropyltriazol-1-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(4-cyclopropyltriazol-1-yl)-2,3-dihydroisoindol-1-one;ethynylcyclopropane (PubChem CID 159117763) has the molecular formula C67H59Br2N21O4 and a molecular weight of 1382.16 g/mol. Its IUPAC name is 6-azido-2,3-dihydroisoindol-1-one;2-bromo-6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine;6-bromo-2,3-dihydroisoindol-1-one;6-(4-cyclopropyltriazol-1-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(4-cyclopropyltriazol-1-yl)-2,3-dihydroisoindol-1-one;ethynylcyclopropane.

Molecular Properties

Compound Name6-azido-2,3-dihydroisoindol-1-one;2-bromo-6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine;6-bromo-2,3-dihydroisoindol-1-one;6-(4-cyclopropyltriazol-1-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(4-cyclopropyltriazol-1-yl)-2,3-dihydroisoindol-1-one;ethynylcyclopropane
PubChem CID159117763
Molecular FormulaC67H59Br2N21O4
Molecular Weight1382.16 g/mol
Exact Mass1379.34
IUPAC Name6-azido-2,3-dihydroisoindol-1-one;2-bromo-6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine;6-bromo-2,3-dihydroisoindol-1-one;6-(4-cyclopropyltriazol-1-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(4-cyclopropyltriazol-1-yl)-2,3-dihydroisoindol-1-one;ethynylcyclopropane
SMILESBrc1cccc(-c2nncn2C2CC2)n1.C#CC1CC1.O=C1NCc2ccc(-n3cc(C4CC4)nn3)cc21.O=C1NCc2ccc(Br)cc21.O=C1c2cc(-n3cc(C4CC4)nn3)ccc2CN1c1cccc(-c2nncn2C2CC2)n1.[N-]=[N+]=Nc1ccc2c(c1)C(=O)NC2
InChIInChI=1S/C23H20N8O.C13H12N4O.C10H9BrN4.C8H6BrNO.C8H6N4O.C5H6/c32-23-18-10-17(31-12-20(26-28-31)14-4-5-14)7-6-15(18)11-29(23)21-3-1-2-19(25-21)22-27-24-13-30(22)16-8-9-16;18-13-11-5-10(4-3-9(11)6-14-13)17-7-12(15-16-17)8-1-2-8;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;9-12-11-6-2-1-5-4-10-8(13)7(5)3-6;1-2-5-3-4-5/h1-3,6-7,10,12-14,16H,4-5,8-9,11H2;3-5,7-8H,1-2,6H2,(H,14,18);1-3,6-7H,4-5H2;1-3H,4H2,(H,10,11);1-3H,4H2,(H,10,13);1,5H,3-4H2
InChIKeyKFHJLWUNLDOURQ-UHFFFAOYSA-N
XLogP11.71
TPSA304.99 Ų
H-Bond Donors3
H-Bond Acceptors19
Rotatable Bonds10
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001382.16
LogP ≤ 511.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 6-azido-2,3-dihydroisoindol-1-one;2-bromo-6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine;6-bromo-2,3-dihydroisoindol-1-one;6-(4-cyclopropyltriazol-1-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(4-cyclopropyltriazol-1-yl)-2,3-dihydroisoindol-1-one;ethynylcyclopropane with MolForge

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Related Compounds

7-(4-Cyclopropylimidazol-1-yl)-4-fluoro-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]isoquinolin-1-one;7-(4-cyclopropylimidazol-1-yl)-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]isoquinolin-1-one
CID 153538847
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
CID 157697930
CID 157697930
acetamide;5-bromo-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;N-[2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-oxo-3H-isoindol-5-yl]acetamide;methane
CID 157762363
2-bromo-6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine;6-bromo-2,3-dihydroisoindol-1-one;2-bromo-1-methylimidazole;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(1-methylimidazol-2-yl)-3H-isoindol-1-one;6-(1-methylimidazol-2-yl)-2,3-dihydroisoindol-1-one;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroisoindol-1-one;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 158314233
2-[6-(5-cyclopropyltriazol-1-yl)-2-pyridinyl]-3H-isoindol-1-one;2-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)pyrimidin-2-yl]-3H-isoindol-1-one;2-[6-(triazol-1-yl)-2-pyridinyl]-3H-isoindol-1-one
CID 158421569
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;bis(6-(3-methylimidazol-4-yl)-2,3-dihydroisoindol-1-one)
CID 158424607
5-bromo-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(ethylamino)-3H-isoindol-1-one;ethanamine
CID 158615671
7-bromo-3,4-dihydro-2H-isoquinolin-1-one;3-(6-bromo-2-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;carbanide;1-cyclopropylethanone;5-cyclopropyl-2-methyl-1H-imidazole;7-(4-cyclopropyl-2-methylimidazol-1-yl)-3,4-dihydro-2H-isoquinolin-1-one;7-(4-cyclopropyl-2-methylimidazol-1-yl)-2-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]-3,4-dihydroisoquinolin-1-one;2-cyclopropyl-2-oxoacetaldehyde;tungsten
CID 158877055
5-amino-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;2-bromo-6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine;5-bromo-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;5-bromo-2,3-dihydroisoindol-1-one;diphenylmethanimine
CID 158983054
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

Frequently Asked Questions

What is the IUPAC name of 6-azido-2,3-dihydroisoindol-1-one;2-bromo-6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine;6-bromo-2,3-dihydroisoindol-1-one;6-(4-cyclopropyltriazol-1-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(4-cyclopropyltriazol-1-yl)-2,3-dihydroisoindol-1-one;ethynylcyclopropane?
The IUPAC name of 6-azido-2,3-dihydroisoindol-1-one;2-bromo-6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine;6-bromo-2,3-dihydroisoindol-1-one;6-(4-cyclopropyltriazol-1-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(4-cyclopropyltriazol-1-yl)-2,3-dihydroisoindol-1-one;ethynylcyclopropane (CID 159117763) is 6-azido-2,3-dihydroisoindol-1-one;2-bromo-6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine;6-bromo-2,3-dihydroisoindol-1-one;6-(4-cyclopropyltriazol-1-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(4-cyclopropyltriazol-1-yl)-2,3-dihydroisoindol-1-one;ethynylcyclopropane.
What is the SMILES notation for 6-azido-2,3-dihydroisoindol-1-one;2-bromo-6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine;6-bromo-2,3-dihydroisoindol-1-one;6-(4-cyclopropyltriazol-1-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(4-cyclopropyltriazol-1-yl)-2,3-dihydroisoindol-1-one;ethynylcyclopropane?
The canonical SMILES for 6-azido-2,3-dihydroisoindol-1-one;2-bromo-6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine;6-bromo-2,3-dihydroisoindol-1-one;6-(4-cyclopropyltriazol-1-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(4-cyclopropyltriazol-1-yl)-2,3-dihydroisoindol-1-one;ethynylcyclopropane is Brc1cccc(-c2nncn2C2CC2)n1.C#CC1CC1.O=C1NCc2ccc(-n3cc(C4CC4)nn3)cc21.O=C1NCc2ccc(Br)cc21.O=C1c2cc(-n3cc(C4CC4)nn3)ccc2CN1c1cccc(-c2nncn2C2CC2)n1.[N-]=[N+]=Nc1ccc2c(c1)C(=O)NC2.
What is the InChIKey of 6-azido-2,3-dihydroisoindol-1-one;2-bromo-6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine;6-bromo-2,3-dihydroisoindol-1-one;6-(4-cyclopropyltriazol-1-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(4-cyclopropyltriazol-1-yl)-2,3-dihydroisoindol-1-one;ethynylcyclopropane?
The InChIKey is KFHJLWUNLDOURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N8O.C13H12N4O.C10H9BrN4.C8H6BrNO.C8H6N4O.C5H6/c32-23-18-10-17(31-12-20(26-28-31)14-4-5-14)7-6-15(18)11-29(23)21-3-1-2-19(25-21)22-27-24-13-30(22)16-8-9-16;18-13-11-5-10(4-3-9(11)6-14-13)17-7-12(15-16-17)8-1-2-8;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;9-12-11-6-2-1-5-4-10-8(13)7(5)3-6;1-2-5-3-4-5/h1-3,6-7,10,12-14,16H,4-5,8-9,11H2;3-5,7-8H,1-2,6H2,(H,14,18);1-3,6-7H,4-5H2;1-3H,4H2,(H,10,11);1-3H,4H2,(H,10,13);1,5H,3-4H2.
What are the key properties of 6-azido-2,3-dihydroisoindol-1-one;2-bromo-6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine;6-bromo-2,3-dihydroisoindol-1-one;6-(4-cyclopropyltriazol-1-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(4-cyclopropyltriazol-1-yl)-2,3-dihydroisoindol-1-one;ethynylcyclopropane?
6-azido-2,3-dihydroisoindol-1-one;2-bromo-6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine;6-bromo-2,3-dihydroisoindol-1-one;6-(4-cyclopropyltriazol-1-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(4-cyclopropyltriazol-1-yl)-2,3-dihydroisoindol-1-one;ethynylcyclopropane has a molecular weight of 1382.16 g/mol, XLogP of 11.71, 10 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 6-azido-2,3-dihydroisoindol-1-one;2-bromo-6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine;6-bromo-2,3-dihydroisoindol-1-one;6-(4-cyclopropyltriazol-1-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(4-cyclopropyltriazol-1-yl)-2,3-dihydroisoindol-1-one;ethynylcyclopropane is sourced from PubChem (CID 159117763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).