magnesium;5-bromo-7-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylsulfonylpyrrolo[2,1-f][1,2,4]triazine;4-[5-bromo-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-one;bis(4-[5-bromo-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-1-methylcyclohexan-1-ol);4-(5-bromo-2-methylsulfonylpyrrolo[2,1-f][1,2,4]triazin-7-yl)cyclohexan-1-one;carbanide;(2S)-1-methoxypropan-2-amine;bis(4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[1-(oxetan-3-yl)pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-1-methylcyclohexan-1-ol);bromide;hydrochloride

C129H182Br6ClMgN31O20S2 — CID 159366780

About magnesium;5-bromo-7-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylsulfonylpyrrolo[2,1-f][1,2,4]triazine;4-[5-bromo-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-one;bis(4-[5-bromo-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-1-methylcyclohexan-1-ol);4-(5-bromo-2-methylsulfonylpyrrolo[2,1-f][1,2,4]triazin-7-yl)cyclohexan-1-one;carbanide;(2S)-1-methoxypropan-2-amine;bis(4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[1-(oxetan-3-yl)pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-1-methylcyclohexan-1-ol);bromide;hydrochloride

magnesium;5-bromo-7-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylsulfonylpyrrolo[2,1-f][1,2,4]triazine;4-[5-bromo-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-one;bis(4-[5-bromo-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-1-methylcyclohexan-1-ol);4-(5-bromo-2-methylsulfonylpyrrolo[2,1-f][1,2,4]triazin-7-yl)cyclohexan-1-one;carbanide;(2S)-1-methoxypropan-2-amine;bis(4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[1-(oxetan-3-yl)pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-1-methylcyclohexan-1-ol);bromide;hydrochloride (PubChem CID 159366780) has the molecular formula C129H182Br6ClMgN31O20S2 and a molecular weight of 3090.39 g/mol. Its IUPAC name is magnesium;5-bromo-7-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylsulfonylpyrrolo[2,1-f][1,2,4]triazine;4-[5-bromo-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-one;bis(4-[5-bromo-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-1-methylcyclohexan-1-ol);4-(5-bromo-2-methylsulfonylpyrrolo[2,1-f][1,2,4]triazin-7-yl)cyclohexan-1-one;carbanide;(2S)-1-methoxypropan-2-amine;bis(4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[1-(oxetan-3-yl)pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-1-methylcyclohexan-1-ol);bromide;hydrochloride.

Molecular Properties

• Compound Name: magnesium;5-bromo-7-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylsulfonylpyrrolo[2,1-f][1,2,4]triazine;4-[5-bromo-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-one;bis(4-[5-bromo-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-1-methylcyclohexan-1-ol);4-(5-bromo-2-methylsulfonylpyrrolo[2,1-f][1,2,4]triazin-7-yl)cyclohexan-1-one;carbanide;(2S)-1-methoxypropan-2-amine;bis(4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[1-(oxetan-3-yl)pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-1-methylcyclohexan-1-ol);bromide;hydrochloride
• PubChem CID: 159366780
• Molecular Formula: C129H182Br6ClMgN31O20S2
• Molecular Weight: 3090.39 g/mol
• Exact Mass: 3081.83
• IUPAC Name: magnesium;5-bromo-7-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylsulfonylpyrrolo[2,1-f][1,2,4]triazine;4-[5-bromo-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-one;bis(4-[5-bromo-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-1-methylcyclohexan-1-ol);4-(5-bromo-2-methylsulfonylpyrrolo[2,1-f][1,2,4]triazin-7-yl)cyclohexan-1-one;carbanide;(2S)-1-methoxypropan-2-amine;bis(4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[1-(oxetan-3-yl)pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-1-methylcyclohexan-1-ol);bromide;hydrochloride
• SMILES: COC[C@H](C)N.COC[C@H](C)Nc1ncc2c(-c3cnn(C4COC4)c3)cc(C3CCC(C)(O)CC3)n2n1.COC[C@H](C)Nc1ncc2c(-c3cnn(C4COC4)c3)cc(C3CCC(C)(O)CC3)n2n1.COC[C@H](C)Nc1ncc2c(Br)cc(C3CCC(=O)CC3)n2n1.COC[C@H](C)Nc1ncc2c(Br)cc(C3CCC(C)(O)CC3)n2n1.COC[C@H](C)Nc1ncc2c(Br)cc(C3CCC(C)(O)CC3)n2n1.CS(=O)(=O)c1ncc2c(Br)cc(C3CCC(=O)CC3)n2n1.CS(=O)(=O)c1ncc2c(Br)cc(C3CCC4(CC3)OCCO4)n2n1.Cl.[Br-].[CH3-].[Mg+2]
• InChI: InChI=1S/2C23H32N6O3.2C17H25BrN4O2.C16H21BrN4O2.C15H18BrN3O4S.C13H14BrN3O3S.C4H11NO.CH3.BrH.ClH.Mg/c2*1-15(12-31-3)26-22-24-10-21-19(17-9-25-28(11-17)18-13-32-14-18)8-20(29(21)27-22)16-4-6-23(2,30)7-5-16;2*1-11(10-24-3)20-16-19-9-15-13(18)8-14(22(15)21-16)12-4-6-17(2,23)7-5-12;1-10(9-23-2)19-16-18-8-15-13(17)7-14(21(15)20-16)11-3-5-12(22)6-4-11;1-24(20,21)14-17-9-13-11(16)8-12(19(13)18-14)10-2-4-15(5-3-10)22-6-7-23-15;1-21(19,20)13-15-7-12-10(14)6-11(17(12)16-13)8-2-4-9(18)5-3-8;1-4(5)3-6-2;;;;/h2*8-11,15-16,18,30H,4-7,12-14H2,1-3H3,(H,26,27);2*8-9,11-12,23H,4-7,10H2,1-3H3,(H,20,21);7-8,10-11H,3-6,9H2,1-2H3,(H,19,20);8-10H,2-7H2,1H3;6-8H,2-5H2,1H3;4H,3,5H2,1-2H3;1H3;2*1H;/q;;;;;;;;-1;;;+2/p-1/t2*15-,16?,23?;2*11-,12?,17?;10-;;;4-;;;;/m00000..0..../s1
• InChIKey: RYTMCTJWFMITKQ-WGVSAAMPSA-M
• XLogP: 17.79
• TPSA: 608.78 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 51
• Rotatable Bonds: 35
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3090.39
LogP ≤ 5	17.79
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	51

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of magnesium;5-bromo-7-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylsulfonylpyrrolo[2,1-f][1,2,4]triazine;4-[5-bromo-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-one;bis(4-[5-bromo-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-1-methylcyclohexan-1-ol);4-(5-bromo-2-methylsulfonylpyrrolo[2,1-f][1,2,4]triazin-7-yl)cyclohexan-1-one;carbanide;(2S)-1-methoxypropan-2-amine;bis(4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[1-(oxetan-3-yl)pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-1-methylcyclohexan-1-ol);bromide;hydrochloride?

The IUPAC name of magnesium;5-bromo-7-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylsulfonylpyrrolo[2,1-f][1,2,4]triazine;4-[5-bromo-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-one;bis(4-[5-bromo-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-1-methylcyclohexan-1-ol);4-(5-bromo-2-methylsulfonylpyrrolo[2,1-f][1,2,4]triazin-7-yl)cyclohexan-1-one;carbanide;(2S)-1-methoxypropan-2-amine;bis(4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[1-(oxetan-3-yl)pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-1-methylcyclohexan-1-ol);bromide;hydrochloride (CID 159366780) is magnesium;5-bromo-7-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylsulfonylpyrrolo[2,1-f][1,2,4]triazine;4-[5-bromo-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-one;bis(4-[5-bromo-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-1-methylcyclohexan-1-ol);4-(5-bromo-2-methylsulfonylpyrrolo[2,1-f][1,2,4]triazin-7-yl)cyclohexan-1-one;carbanide;(2S)-1-methoxypropan-2-amine;bis(4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[1-(oxetan-3-yl)pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-1-methylcyclohexan-1-ol);bromide;hydrochloride.

What is the SMILES notation for magnesium;5-bromo-7-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylsulfonylpyrrolo[2,1-f][1,2,4]triazine;4-[5-bromo-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-one;bis(4-[5-bromo-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-1-methylcyclohexan-1-ol);4-(5-bromo-2-methylsulfonylpyrrolo[2,1-f][1,2,4]triazin-7-yl)cyclohexan-1-one;carbanide;(2S)-1-methoxypropan-2-amine;bis(4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[1-(oxetan-3-yl)pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-1-methylcyclohexan-1-ol);bromide;hydrochloride?

The canonical SMILES for magnesium;5-bromo-7-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylsulfonylpyrrolo[2,1-f][1,2,4]triazine;4-[5-bromo-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-one;bis(4-[5-bromo-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-1-methylcyclohexan-1-ol);4-(5-bromo-2-methylsulfonylpyrrolo[2,1-f][1,2,4]triazin-7-yl)cyclohexan-1-one;carbanide;(2S)-1-methoxypropan-2-amine;bis(4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[1-(oxetan-3-yl)pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-1-methylcyclohexan-1-ol);bromide;hydrochloride is COC[C@H](C)N.COC[C@H](C)Nc1ncc2c(-c3cnn(C4COC4)c3)cc(C3CCC(C)(O)CC3)n2n1.COC[C@H](C)Nc1ncc2c(-c3cnn(C4COC4)c3)cc(C3CCC(C)(O)CC3)n2n1.COC[C@H](C)Nc1ncc2c(Br)cc(C3CCC(=O)CC3)n2n1.COC[C@H](C)Nc1ncc2c(Br)cc(C3CCC(C)(O)CC3)n2n1.COC[C@H](C)Nc1ncc2c(Br)cc(C3CCC(C)(O)CC3)n2n1.CS(=O)(=O)c1ncc2c(Br)cc(C3CCC(=O)CC3)n2n1.CS(=O)(=O)c1ncc2c(Br)cc(C3CCC4(CC3)OCCO4)n2n1.Cl.[Br-].[CH3-].[Mg+2].

What is the InChIKey of magnesium;5-bromo-7-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylsulfonylpyrrolo[2,1-f][1,2,4]triazine;4-[5-bromo-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-one;bis(4-[5-bromo-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-1-methylcyclohexan-1-ol);4-(5-bromo-2-methylsulfonylpyrrolo[2,1-f][1,2,4]triazin-7-yl)cyclohexan-1-one;carbanide;(2S)-1-methoxypropan-2-amine;bis(4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[1-(oxetan-3-yl)pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-1-methylcyclohexan-1-ol);bromide;hydrochloride?

The InChIKey is RYTMCTJWFMITKQ-WGVSAAMPSA-M. The full InChI is InChI=1S/2C23H32N6O3.2C17H25BrN4O2.C16H21BrN4O2.C15H18BrN3O4S.C13H14BrN3O3S.C4H11NO.CH3.BrH.ClH.Mg/c2*1-15(12-31-3)26-22-24-10-21-19(17-9-25-28(11-17)18-13-32-14-18)8-20(29(21)27-22)16-4-6-23(2,30)7-5-16;2*1-11(10-24-3)20-16-19-9-15-13(18)8-14(22(15)21-16)12-4-6-17(2,23)7-5-12;1-10(9-23-2)19-16-18-8-15-13(17)7-14(21(15)20-16)11-3-5-12(22)6-4-11;1-24(20,21)14-17-9-13-11(16)8-12(19(13)18-14)10-2-4-15(5-3-10)22-6-7-23-15;1-21(19,20)13-15-7-12-10(14)6-11(17(12)16-13)8-2-4-9(18)5-3-8;1-4(5)3-6-2;;;;/h2*8-11,15-16,18,30H,4-7,12-14H2,1-3H3,(H,26,27);2*8-9,11-12,23H,4-7,10H2,1-3H3,(H,20,21);7-8,10-11H,3-6,9H2,1-2H3,(H,19,20);8-10H,2-7H2,1H3;6-8H,2-5H2,1H3;4H,3,5H2,1-2H3;1H3;2*1H;/q;;;;;;;;-1;;;+2/p-1/t2*15-,16?,23?;2*11-,12?,17?;10-;;;4-;;;;/m00000..0..../s1.

What are the key properties of magnesium;5-bromo-7-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylsulfonylpyrrolo[2,1-f][1,2,4]triazine;4-[5-bromo-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-one;bis(4-[5-bromo-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-1-methylcyclohexan-1-ol);4-(5-bromo-2-methylsulfonylpyrrolo[2,1-f][1,2,4]triazin-7-yl)cyclohexan-1-one;carbanide;(2S)-1-methoxypropan-2-amine;bis(4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[1-(oxetan-3-yl)pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-1-methylcyclohexan-1-ol);bromide;hydrochloride?

magnesium;5-bromo-7-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylsulfonylpyrrolo[2,1-f][1,2,4]triazine;4-[5-bromo-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-one;bis(4-[5-bromo-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-1-methylcyclohexan-1-ol);4-(5-bromo-2-methylsulfonylpyrrolo[2,1-f][1,2,4]triazin-7-yl)cyclohexan-1-one;carbanide;(2S)-1-methoxypropan-2-amine;bis(4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[1-(oxetan-3-yl)pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-1-methylcyclohexan-1-ol);bromide;hydrochloride has a molecular weight of 3090.39 g/mol, XLogP of 17.79, 35 rotatable bonds, 10 hydrogen bond donors, and 51 hydrogen bond acceptors.

Where does this data come from?

All data for magnesium;5-bromo-7-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylsulfonylpyrrolo[2,1-f][1,2,4]triazine;4-[5-bromo-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-one;bis(4-[5-bromo-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-1-methylcyclohexan-1-ol);4-(5-bromo-2-methylsulfonylpyrrolo[2,1-f][1,2,4]triazin-7-yl)cyclohexan-1-one;carbanide;(2S)-1-methoxypropan-2-amine;bis(4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[1-(oxetan-3-yl)pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-1-methylcyclohexan-1-ol);bromide;hydrochloride is sourced from PubChem (CID 159366780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).