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-imidazol-1-yl-3H-isoindol-1-one;1H-imidazole;bis(6-imidazol-1-yl-2,3-dihydroisoindol-1-one);methane

C67H66Br2N20O4 — CID 160950491

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-imidazol-1-yl-3H-isoindol-1-one;1H-imidazole;bis(6-imidazol-1-yl-2,3-dihydroisoindol-1-one);methane
SMILESBrc1cccc(-c2nncn2C2CC2)n1.C.C.C.O=C1NCc2ccc(-n3ccnc3)cc21.O=C1NCc2ccc(-n3ccnc3)cc21.O=C1NCc2ccc(Br)cc21.O=C1c2cc(-n3ccnc3)ccc2CN1c1cccc(-c2nncn2C2CC2)n1.c1c[nH]cn1
InChIInChI=1S/C21H17N7O.2C11H9N3O.C10H9BrN4.C8H6BrNO.C3H4N2.3CH4/c29-21-17-10-16(26-9-8-22-12-26)5-4-14(17)11-27(21)19-3-1-2-18(24-19)20-25-23-13-28(20)15-6-7-15;2*15-11-10-5-9(14-4-3-12-7-14)2-1-8(10)6-13-11;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;1-2-5-3-4-1;;;/h1-5,8-10,12-13,15H,6-7,11H2;2*1-5,7H,6H2,(H,13,15);1-3,6-7H,4-5H2;1-3H,4H2,(H,10,11);1-3H,(H,4,5);3*1H4
InChIKeySVROXDUIAKNDAB-UHFFFAOYSA-N
MW1375.21 g/mol
LogP11.70
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-imidazol-1-yl-3H-isoindol-1-one;1H-imidazole;bis(6-imidazol-1-yl-2,3-dihydroisoindol-1-one);methane

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-imidazol-1-yl-3H-isoindol-1-one;1H-imidazole;bis(6-imidazol-1-yl-2,3-dihydroisoindol-1-one);methane (PubChem CID 160950491) has the molecular formula C67H66Br2N20O4 and a molecular weight of 1375.21 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-imidazol-1-yl-3H-isoindol-1-one;1H-imidazole;bis(6-imidazol-1-yl-2,3-dihydroisoindol-1-one);methane.

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-imidazol-1-yl-3H-isoindol-1-one;1H-imidazole;bis(6-imidazol-1-yl-2,3-dihydroisoindol-1-one);methane
PubChem CID160950491
Molecular FormulaC67H66Br2N20O4
Molecular Weight1375.21 g/mol
Exact Mass1372.39
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-imidazol-1-yl-3H-isoindol-1-one;1H-imidazole;bis(6-imidazol-1-yl-2,3-dihydroisoindol-1-one);methane
SMILESBrc1cccc(-c2nncn2C2CC2)n1.C.C.C.O=C1NCc2ccc(-n3ccnc3)cc21.O=C1NCc2ccc(-n3ccnc3)cc21.O=C1NCc2ccc(Br)cc21.O=C1c2cc(-n3ccnc3)ccc2CN1c1cccc(-c2nncn2C2CC2)n1.c1c[nH]cn1
InChIInChI=1S/C21H17N7O.2C11H9N3O.C10H9BrN4.C8H6BrNO.C3H4N2.3CH4/c29-21-17-10-16(26-9-8-22-12-26)5-4-14(17)11-27(21)19-3-1-2-18(24-19)20-25-23-13-28(20)15-6-7-15;2*15-11-10-5-9(14-4-3-12-7-14)2-1-8(10)6-13-11;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;1-2-5-3-4-1;;;/h1-5,8-10,12-13,15H,6-7,11H2;2*1-5,7H,6H2,(H,13,15);1-3,6-7H,4-5H2;1-3H,4H2,(H,10,11);1-3H,(H,4,5);3*1H4
InChIKeySVROXDUIAKNDAB-UHFFFAOYSA-N
XLogP11.70
TPSA276.95 Ų
H-Bond Donors4
H-Bond Acceptors19
Rotatable Bonds8
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001375.21
LogP ≤ 511.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1019

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-imidazol-1-yl-3H-isoindol-1-one;1H-imidazole;bis(6-imidazol-1-yl-2,3-dihydroisoindol-1-one);methane with MolForge

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Launch Full Analysis

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
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
(7S)-15-bromo-7-methyl-10-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;5-cyclopropyl-1H-imidazole;(7S)-15-(4-cyclopropylimidazol-1-yl)-7-methyl-10-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one
CID 158067254
1-(5-bromo-4-fluoro-2-methylphenyl)-4-cyclopropylimidazole;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;methane;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine
CID 158166699
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
1-(5-bromo-4-fluoro-2-methylphenyl)-4-cyclopropylimidazole;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine
CID 158539285

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-imidazol-1-yl-3H-isoindol-1-one;1H-imidazole;bis(6-imidazol-1-yl-2,3-dihydroisoindol-1-one);methane?
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-imidazol-1-yl-3H-isoindol-1-one;1H-imidazole;bis(6-imidazol-1-yl-2,3-dihydroisoindol-1-one);methane (CID 160950491) 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-imidazol-1-yl-3H-isoindol-1-one;1H-imidazole;bis(6-imidazol-1-yl-2,3-dihydroisoindol-1-one);methane.
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-imidazol-1-yl-3H-isoindol-1-one;1H-imidazole;bis(6-imidazol-1-yl-2,3-dihydroisoindol-1-one);methane?
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-imidazol-1-yl-3H-isoindol-1-one;1H-imidazole;bis(6-imidazol-1-yl-2,3-dihydroisoindol-1-one);methane is Brc1cccc(-c2nncn2C2CC2)n1.C.C.C.O=C1NCc2ccc(-n3ccnc3)cc21.O=C1NCc2ccc(-n3ccnc3)cc21.O=C1NCc2ccc(Br)cc21.O=C1c2cc(-n3ccnc3)ccc2CN1c1cccc(-c2nncn2C2CC2)n1.c1c[nH]cn1.
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-imidazol-1-yl-3H-isoindol-1-one;1H-imidazole;bis(6-imidazol-1-yl-2,3-dihydroisoindol-1-one);methane?
The InChIKey is SVROXDUIAKNDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N7O.2C11H9N3O.C10H9BrN4.C8H6BrNO.C3H4N2.3CH4/c29-21-17-10-16(26-9-8-22-12-26)5-4-14(17)11-27(21)19-3-1-2-18(24-19)20-25-23-13-28(20)15-6-7-15;2*15-11-10-5-9(14-4-3-12-7-14)2-1-8(10)6-13-11;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;1-2-5-3-4-1;;;/h1-5,8-10,12-13,15H,6-7,11H2;2*1-5,7H,6H2,(H,13,15);1-3,6-7H,4-5H2;1-3H,4H2,(H,10,11);1-3H,(H,4,5);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-imidazol-1-yl-3H-isoindol-1-one;1H-imidazole;bis(6-imidazol-1-yl-2,3-dihydroisoindol-1-one);methane?
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-imidazol-1-yl-3H-isoindol-1-one;1H-imidazole;bis(6-imidazol-1-yl-2,3-dihydroisoindol-1-one);methane has a molecular weight of 1375.21 g/mol, XLogP of 11.70, 8 rotatable bonds, 4 hydrogen bond donors, and 19 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-imidazol-1-yl-3H-isoindol-1-one;1H-imidazole;bis(6-imidazol-1-yl-2,3-dihydroisoindol-1-one);methane is sourced from PubChem (CID 160950491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).