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

C67H56Br3N17O3 — CID 158983054

IUPAC5-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
SMILESBrc1cccc(-c2nncn2C2CC2)n1.Nc1ccc2c(c1)CN(c1cccc(-c3nncn3C3CC3)n1)C2=O.O=C1NCc2cc(Br)ccc21.O=C1c2ccc(Br)cc2CN1c1cccc(-c2nncn2C2CC2)n1.[H]N=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H14BrN5O.C18H16N6O.C13H11N.C10H9BrN4.C8H6BrNO/c2*19-12-4-7-14-11(8-12)9-23(18(14)25)16-3-1-2-15(21-16)17-22-20-10-24(17)13-5-6-13;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;11-9-3-1-2-8(13-9)10-14-12-6-15(10)7-4-5-7;9-6-1-2-7-5(3-6)4-10-8(7)11/h1-4,7-8,10,13H,5-6,9H2;1-4,7-8,10,13H,5-6,9,19H2;1-10,14H;1-3,6-7H,4-5H2;1-3H,4H2,(H,10,11)
InChIKeyJPFWRPKGOCIFSX-UHFFFAOYSA-N
MW1387.01 g/mol
LogP13.25
Rot. Bonds10

About 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

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 (PubChem CID 158983054) has the molecular formula C67H56Br3N17O3 and a molecular weight of 1387.01 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID158983054
Molecular FormulaC67H56Br3N17O3
Molecular Weight1387.01 g/mol
Exact Mass1383.23
IUPAC Name5-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
SMILESBrc1cccc(-c2nncn2C2CC2)n1.Nc1ccc2c(c1)CN(c1cccc(-c3nncn3C3CC3)n1)C2=O.O=C1NCc2cc(Br)ccc21.O=C1c2ccc(Br)cc2CN1c1cccc(-c2nncn2C2CC2)n1.[H]N=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H14BrN5O.C18H16N6O.C13H11N.C10H9BrN4.C8H6BrNO/c2*19-12-4-7-14-11(8-12)9-23(18(14)25)16-3-1-2-15(21-16)17-22-20-10-24(17)13-5-6-13;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;11-9-3-1-2-8(13-9)10-14-12-6-15(10)7-4-5-7;9-6-1-2-7-5(3-6)4-10-8(7)11/h1-4,7-8,10,13H,5-6,9H2;1-4,7-8,10,13H,5-6,9,19H2;1-10,14H;1-3,6-7H,4-5H2;1-3H,4H2,(H,10,11)
InChIKeyJPFWRPKGOCIFSX-UHFFFAOYSA-N
XLogP13.25
TPSA250.39 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds10
Heavy Atoms90
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001387.01
LogP ≤ 513.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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
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
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;2-chlorocyclohexan-1-one;4,5,6,7-tetrahydro-1H-benzimidazole;7-(4,5,6,7-tetrahydrobenzimidazol-1-yl)-3,4-dihydro-2H-isoquinolin-1-one;7-(4,5,6,7-tetrahydrobenzimidazol-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;tungsten
CID 158404073
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
2-bromo-6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine;6-(6-bromopyridazin-3-yl)-2,3-dihydroisoindol-1-one;cyclopropylboronic acid;6-(6-cyclopropylpyridazin-3-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(6-cyclopropylpyridazin-3-yl)-2,3-dihydroisoindol-1-one;3,6-dibromopyridazine;methane;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroisoindol-1-one
CID 158540833
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
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 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Brc1cccc(-c2nncn2C2CC2)n1.Nc1ccc2c(c1)CN(c1cccc(-c3nncn3C3CC3)n1)C2=O.O=C1NCc2cc(Br)ccc21.O=C1c2ccc(Br)cc2CN1c1cccc(-c2nncn2C2CC2)n1.[H]N=C(c1ccccc1)c1ccccc1.
What is the InChIKey of 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?
The InChIKey is JPFWRPKGOCIFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrN5O.C18H16N6O.C13H11N.C10H9BrN4.C8H6BrNO/c2*19-12-4-7-14-11(8-12)9-23(18(14)25)16-3-1-2-15(21-16)17-22-20-10-24(17)13-5-6-13;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;11-9-3-1-2-8(13-9)10-14-12-6-15(10)7-4-5-7;9-6-1-2-7-5(3-6)4-10-8(7)11/h1-4,7-8,10,13H,5-6,9H2;1-4,7-8,10,13H,5-6,9,19H2;1-10,14H;1-3,6-7H,4-5H2;1-3H,4H2,(H,10,11).
What are the key properties of 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?
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 has a molecular weight of 1387.01 g/mol, XLogP of 13.25, 10 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158983054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).