5-bromo-3-[(1,3-dimethylindazol-5-yl)amino]-1-methylpyrazin-2-one;3,5-dibromo-1-methylpyrazin-2-one;1,3-dimethylindazol-5-amine;[4-[6-[(1,3-dimethylindazol-5-yl)amino]-4-methyl-5-oxopyrazin-2-yl]-2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-10-yl)-3-pyridinyl]methyl acetate;1,3-dimethyl-5-nitroindazole

C71H74Br3N21O8 — CID 160935704

IUPAC5-bromo-3-[(1,3-dimethylindazol-5-yl)amino]-1-methylpyrazin-2-one;3,5-dibromo-1-methylpyrazin-2-one;1,3-dimethylindazol-5-amine;[4-[6-[(1,3-dimethylindazol-5-yl)amino]-4-methyl-5-oxopyrazin-2-yl]-2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-10-yl)-3-pyridinyl]methyl acetate;1,3-dimethyl-5-nitroindazole
SMILESCC(=O)OCc1c(-c2cn(C)c(=O)c(Nc3ccc4c(c3)c(C)nn4C)n2)ccnc1N1CCn2c(cc3c2CC(C)(C)C3)C1=O.Cc1nn(C)c2ccc(N)cc12.Cc1nn(C)c2ccc(Nc3nc(Br)cn(C)c3=O)cc12.Cc1nn(C)c2ccc([N+](=O)[O-])cc12.Cn1cc(Br)nc(Br)c1=O
InChIInChI=1S/C34H36N8O4.C14H14BrN5O.C9H9N3O2.C9H11N3.C5H4Br2N2O/c1-19-24-14-22(7-8-27(24)40(6)38-19)36-30-33(45)39(5)17-26(37-30)23-9-10-35-31(25(23)18-46-20(2)43)42-12-11-41-28(32(42)44)13-21-15-34(3,4)16-29(21)41;1-8-10-6-9(4-5-11(10)20(3)18-8)16-13-14(21)19(2)7-12(15)17-13;1-6-8-5-7(12(13)14)3-4-9(8)11(2)10-6;1-6-8-5-7(10)3-4-9(8)12(2)11-6;1-9-2-3(6)8-4(7)5(9)10/h7-10,13-14,17H,11-12,15-16,18H2,1-6H3,(H,36,37);4-7H,1-3H3,(H,16,17);3-5H,1-2H3;3-5H,10H2,1-2H3;2H,1H3
InChIKeySTVRLXDJGOUQTO-UHFFFAOYSA-N
MW1589.22 g/mol
LogP11.47
Rot. Bonds9

About 5-bromo-3-[(1,3-dimethylindazol-5-yl)amino]-1-methylpyrazin-2-one;3,5-dibromo-1-methylpyrazin-2-one;1,3-dimethylindazol-5-amine;[4-[6-[(1,3-dimethylindazol-5-yl)amino]-4-methyl-5-oxopyrazin-2-yl]-2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-10-yl)-3-pyridinyl]methyl acetate;1,3-dimethyl-5-nitroindazole

5-bromo-3-[(1,3-dimethylindazol-5-yl)amino]-1-methylpyrazin-2-one;3,5-dibromo-1-methylpyrazin-2-one;1,3-dimethylindazol-5-amine;[4-[6-[(1,3-dimethylindazol-5-yl)amino]-4-methyl-5-oxopyrazin-2-yl]-2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-10-yl)-3-pyridinyl]methyl acetate;1,3-dimethyl-5-nitroindazole (PubChem CID 160935704) has the molecular formula C71H74Br3N21O8 and a molecular weight of 1589.22 g/mol. Its IUPAC name is 5-bromo-3-[(1,3-dimethylindazol-5-yl)amino]-1-methylpyrazin-2-one;3,5-dibromo-1-methylpyrazin-2-one;1,3-dimethylindazol-5-amine;[4-[6-[(1,3-dimethylindazol-5-yl)amino]-4-methyl-5-oxopyrazin-2-yl]-2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-10-yl)-3-pyridinyl]methyl acetate;1,3-dimethyl-5-nitroindazole.

Molecular Properties

Compound Name5-bromo-3-[(1,3-dimethylindazol-5-yl)amino]-1-methylpyrazin-2-one;3,5-dibromo-1-methylpyrazin-2-one;1,3-dimethylindazol-5-amine;[4-[6-[(1,3-dimethylindazol-5-yl)amino]-4-methyl-5-oxopyrazin-2-yl]-2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-10-yl)-3-pyridinyl]methyl acetate;1,3-dimethyl-5-nitroindazole
PubChem CID160935704
Molecular FormulaC71H74Br3N21O8
Molecular Weight1589.22 g/mol
Exact Mass1585.36
IUPAC Name5-bromo-3-[(1,3-dimethylindazol-5-yl)amino]-1-methylpyrazin-2-one;3,5-dibromo-1-methylpyrazin-2-one;1,3-dimethylindazol-5-amine;[4-[6-[(1,3-dimethylindazol-5-yl)amino]-4-methyl-5-oxopyrazin-2-yl]-2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-10-yl)-3-pyridinyl]methyl acetate;1,3-dimethyl-5-nitroindazole
SMILESCC(=O)OCc1c(-c2cn(C)c(=O)c(Nc3ccc4c(c3)c(C)nn4C)n2)ccnc1N1CCn2c(cc3c2CC(C)(C)C3)C1=O.Cc1nn(C)c2ccc(N)cc12.Cc1nn(C)c2ccc(Nc3nc(Br)cn(C)c3=O)cc12.Cc1nn(C)c2ccc([N+](=O)[O-])cc12.Cn1cc(Br)nc(Br)c1=O
InChIInChI=1S/C34H36N8O4.C14H14BrN5O.C9H9N3O2.C9H11N3.C5H4Br2N2O/c1-19-24-14-22(7-8-27(24)40(6)38-19)36-30-33(45)39(5)17-26(37-30)23-9-10-35-31(25(23)18-46-20(2)43)42-12-11-41-28(32(42)44)13-21-15-34(3,4)16-29(21)41;1-8-10-6-9(4-5-11(10)20(3)18-8)16-13-14(21)19(2)7-12(15)17-13;1-6-8-5-7(12(13)14)3-4-9(8)11(2)10-6;1-6-8-5-7(10)3-4-9(8)12(2)11-6;1-9-2-3(6)8-4(7)5(9)10/h7-10,13-14,17H,11-12,15-16,18H2,1-6H3,(H,36,37);4-7H,1-3H3,(H,16,17);3-5H,1-2H3;3-5H,10H2,1-2H3;2H,1H3
InChIKeySTVRLXDJGOUQTO-UHFFFAOYSA-N
XLogP11.47
TPSA333.60 Ų
H-Bond Donors3
H-Bond Acceptors27
Rotatable Bonds9
Heavy Atoms103
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001589.22
LogP ≤ 511.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-bromo-3-[(1,3-dimethylindazol-5-yl)amino]-1-methylpyrazin-2-one;3,5-dibromo-1-methylpyrazin-2-one;1,3-dimethylindazol-5-amine;[4-[6-[(1,3-dimethylindazol-5-yl)amino]-4-methyl-5-oxopyrazin-2-yl]-2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-10-yl)-3-pyridinyl]methyl acetate;1,3-dimethyl-5-nitroindazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(1,3-dimethylindazol-5-yl)amino]-1-methylpyrazin-2-one;3,5-dibromo-1-methylpyrazin-2-one;1,3-dimethylindazol-5-amine;[4-[6-[(1,3-dimethylindazol-5-yl)amino]-4-methyl-5-oxopyrazin-2-yl]-2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-10-yl)-3-pyridinyl]methyl acetate;1,3-dimethyl-5-nitroindazole?
The IUPAC name of 5-bromo-3-[(1,3-dimethylindazol-5-yl)amino]-1-methylpyrazin-2-one;3,5-dibromo-1-methylpyrazin-2-one;1,3-dimethylindazol-5-amine;[4-[6-[(1,3-dimethylindazol-5-yl)amino]-4-methyl-5-oxopyrazin-2-yl]-2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-10-yl)-3-pyridinyl]methyl acetate;1,3-dimethyl-5-nitroindazole (CID 160935704) is 5-bromo-3-[(1,3-dimethylindazol-5-yl)amino]-1-methylpyrazin-2-one;3,5-dibromo-1-methylpyrazin-2-one;1,3-dimethylindazol-5-amine;[4-[6-[(1,3-dimethylindazol-5-yl)amino]-4-methyl-5-oxopyrazin-2-yl]-2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-10-yl)-3-pyridinyl]methyl acetate;1,3-dimethyl-5-nitroindazole.
What is the SMILES notation for 5-bromo-3-[(1,3-dimethylindazol-5-yl)amino]-1-methylpyrazin-2-one;3,5-dibromo-1-methylpyrazin-2-one;1,3-dimethylindazol-5-amine;[4-[6-[(1,3-dimethylindazol-5-yl)amino]-4-methyl-5-oxopyrazin-2-yl]-2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-10-yl)-3-pyridinyl]methyl acetate;1,3-dimethyl-5-nitroindazole?
The canonical SMILES for 5-bromo-3-[(1,3-dimethylindazol-5-yl)amino]-1-methylpyrazin-2-one;3,5-dibromo-1-methylpyrazin-2-one;1,3-dimethylindazol-5-amine;[4-[6-[(1,3-dimethylindazol-5-yl)amino]-4-methyl-5-oxopyrazin-2-yl]-2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-10-yl)-3-pyridinyl]methyl acetate;1,3-dimethyl-5-nitroindazole is CC(=O)OCc1c(-c2cn(C)c(=O)c(Nc3ccc4c(c3)c(C)nn4C)n2)ccnc1N1CCn2c(cc3c2CC(C)(C)C3)C1=O.Cc1nn(C)c2ccc(N)cc12.Cc1nn(C)c2ccc(Nc3nc(Br)cn(C)c3=O)cc12.Cc1nn(C)c2ccc([N+](=O)[O-])cc12.Cn1cc(Br)nc(Br)c1=O.
What is the InChIKey of 5-bromo-3-[(1,3-dimethylindazol-5-yl)amino]-1-methylpyrazin-2-one;3,5-dibromo-1-methylpyrazin-2-one;1,3-dimethylindazol-5-amine;[4-[6-[(1,3-dimethylindazol-5-yl)amino]-4-methyl-5-oxopyrazin-2-yl]-2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-10-yl)-3-pyridinyl]methyl acetate;1,3-dimethyl-5-nitroindazole?
The InChIKey is STVRLXDJGOUQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36N8O4.C14H14BrN5O.C9H9N3O2.C9H11N3.C5H4Br2N2O/c1-19-24-14-22(7-8-27(24)40(6)38-19)36-30-33(45)39(5)17-26(37-30)23-9-10-35-31(25(23)18-46-20(2)43)42-12-11-41-28(32(42)44)13-21-15-34(3,4)16-29(21)41;1-8-10-6-9(4-5-11(10)20(3)18-8)16-13-14(21)19(2)7-12(15)17-13;1-6-8-5-7(12(13)14)3-4-9(8)11(2)10-6;1-6-8-5-7(10)3-4-9(8)12(2)11-6;1-9-2-3(6)8-4(7)5(9)10/h7-10,13-14,17H,11-12,15-16,18H2,1-6H3,(H,36,37);4-7H,1-3H3,(H,16,17);3-5H,1-2H3;3-5H,10H2,1-2H3;2H,1H3.
What are the key properties of 5-bromo-3-[(1,3-dimethylindazol-5-yl)amino]-1-methylpyrazin-2-one;3,5-dibromo-1-methylpyrazin-2-one;1,3-dimethylindazol-5-amine;[4-[6-[(1,3-dimethylindazol-5-yl)amino]-4-methyl-5-oxopyrazin-2-yl]-2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-10-yl)-3-pyridinyl]methyl acetate;1,3-dimethyl-5-nitroindazole?
5-bromo-3-[(1,3-dimethylindazol-5-yl)amino]-1-methylpyrazin-2-one;3,5-dibromo-1-methylpyrazin-2-one;1,3-dimethylindazol-5-amine;[4-[6-[(1,3-dimethylindazol-5-yl)amino]-4-methyl-5-oxopyrazin-2-yl]-2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-10-yl)-3-pyridinyl]methyl acetate;1,3-dimethyl-5-nitroindazole has a molecular weight of 1589.22 g/mol, XLogP of 11.47, 9 rotatable bonds, 3 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[(1,3-dimethylindazol-5-yl)amino]-1-methylpyrazin-2-one;3,5-dibromo-1-methylpyrazin-2-one;1,3-dimethylindazol-5-amine;[4-[6-[(1,3-dimethylindazol-5-yl)amino]-4-methyl-5-oxopyrazin-2-yl]-2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-10-yl)-3-pyridinyl]methyl acetate;1,3-dimethyl-5-nitroindazole is sourced from PubChem (CID 160935704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).