magnesium;6-bromo-1-(2-fluoropropan-2-yl)isoquinoline;1-(6-bromoisoquinolin-1-yl)ethanone;2-(6-bromoisoquinolin-1-yl)propan-2-ol;carbanide;1-(1,1-difluoroethyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-amine;oxolane;bromide

C70H68Br4F3MgN13O4 — CID 157251491

IUPACmagnesium;6-bromo-1-(2-fluoropropan-2-yl)isoquinoline;1-(6-bromoisoquinolin-1-yl)ethanone;2-(6-bromoisoquinolin-1-yl)propan-2-ol;carbanide;1-(1,1-difluoroethyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-amine;oxolane;bromide
SMILESC1CCOC1.CC(=O)c1nccc2cc(Br)ccc12.CC(C)(F)c1nccc2cc(Br)ccc12.CC(C)(O)c1nccc2cc(Br)ccc12.CC(F)(F)c1nccc2cc(Nc3[nH]nc4nccnc34)ccc12.COc1ccc(Cn2nc(N)c3ncccc32)cc1.[Br-].[CH3-].[Mg+2]
InChIInChI=1S/C16H12F2N6.C14H14N4O.C12H11BrFN.C12H12BrNO.C11H8BrNO.C4H8O.CH3.BrH.Mg/c1-16(17,18)13-11-3-2-10(8-9(11)4-5-20-13)22-15-12-14(23-24-15)21-7-6-19-12;1-19-11-6-4-10(5-7-11)9-18-12-3-2-8-16-13(12)14(15)17-18;1-12(2,14)11-10-4-3-9(13)7-8(10)5-6-15-11;1-12(2,15)11-10-4-3-9(13)7-8(10)5-6-14-11;1-7(14)11-10-3-2-9(12)6-8(10)4-5-13-11;1-2-4-5-3-1;;;/h2-8H,1H3,(H2,21,22,23,24);2-8H,9H2,1H3,(H2,15,17);3-7H,1-2H3;3-7,15H,1-2H3;2-6H,1H3;1-4H2;1H3;1H;/q;;;;;;-1;;+2/p-1
InChIKeyMZONNYGZXMBWCG-UHFFFAOYSA-M
MW1556.32 g/mol
LogP14.32
Rot. Bonds9

About magnesium;6-bromo-1-(2-fluoropropan-2-yl)isoquinoline;1-(6-bromoisoquinolin-1-yl)ethanone;2-(6-bromoisoquinolin-1-yl)propan-2-ol;carbanide;1-(1,1-difluoroethyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-amine;oxolane;bromide

magnesium;6-bromo-1-(2-fluoropropan-2-yl)isoquinoline;1-(6-bromoisoquinolin-1-yl)ethanone;2-(6-bromoisoquinolin-1-yl)propan-2-ol;carbanide;1-(1,1-difluoroethyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-amine;oxolane;bromide (PubChem CID 157251491) has the molecular formula C70H68Br4F3MgN13O4 and a molecular weight of 1556.32 g/mol. Its IUPAC name is magnesium;6-bromo-1-(2-fluoropropan-2-yl)isoquinoline;1-(6-bromoisoquinolin-1-yl)ethanone;2-(6-bromoisoquinolin-1-yl)propan-2-ol;carbanide;1-(1,1-difluoroethyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-amine;oxolane;bromide.

Molecular Properties

Compound Namemagnesium;6-bromo-1-(2-fluoropropan-2-yl)isoquinoline;1-(6-bromoisoquinolin-1-yl)ethanone;2-(6-bromoisoquinolin-1-yl)propan-2-ol;carbanide;1-(1,1-difluoroethyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-amine;oxolane;bromide
PubChem CID157251491
Molecular FormulaC70H68Br4F3MgN13O4
Molecular Weight1556.32 g/mol
Exact Mass1551.21
IUPAC Namemagnesium;6-bromo-1-(2-fluoropropan-2-yl)isoquinoline;1-(6-bromoisoquinolin-1-yl)ethanone;2-(6-bromoisoquinolin-1-yl)propan-2-ol;carbanide;1-(1,1-difluoroethyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-amine;oxolane;bromide
SMILESC1CCOC1.CC(=O)c1nccc2cc(Br)ccc12.CC(C)(F)c1nccc2cc(Br)ccc12.CC(C)(O)c1nccc2cc(Br)ccc12.CC(F)(F)c1nccc2cc(Nc3[nH]nc4nccnc34)ccc12.COc1ccc(Cn2nc(N)c3ncccc32)cc1.[Br-].[CH3-].[Mg+2]
InChIInChI=1S/C16H12F2N6.C14H14N4O.C12H11BrFN.C12H12BrNO.C11H8BrNO.C4H8O.CH3.BrH.Mg/c1-16(17,18)13-11-3-2-10(8-9(11)4-5-20-13)22-15-12-14(23-24-15)21-7-6-19-12;1-19-11-6-4-10(5-7-11)9-18-12-3-2-8-16-13(12)14(15)17-18;1-12(2,14)11-10-4-3-9(13)7-8(10)5-6-15-11;1-12(2,15)11-10-4-3-9(13)7-8(10)5-6-14-11;1-7(14)11-10-3-2-9(12)6-8(10)4-5-13-11;1-2-4-5-3-1;;;/h2-8H,1H3,(H2,21,22,23,24);2-8H,9H2,1H3,(H2,15,17);3-7H,1-2H3;3-7,15H,1-2H3;2-6H,1H3;1-4H2;1H3;1H;/q;;;;;;-1;;+2/p-1
InChIKeyMZONNYGZXMBWCG-UHFFFAOYSA-M
XLogP14.32
TPSA230.54 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds9
Heavy Atoms95
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001556.32
LogP ≤ 514.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze magnesium;6-bromo-1-(2-fluoropropan-2-yl)isoquinoline;1-(6-bromoisoquinolin-1-yl)ethanone;2-(6-bromoisoquinolin-1-yl)propan-2-ol;carbanide;1-(1,1-difluoroethyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-amine;oxolane;bromide with MolForge

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Frequently Asked Questions

What is the IUPAC name of magnesium;6-bromo-1-(2-fluoropropan-2-yl)isoquinoline;1-(6-bromoisoquinolin-1-yl)ethanone;2-(6-bromoisoquinolin-1-yl)propan-2-ol;carbanide;1-(1,1-difluoroethyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-amine;oxolane;bromide?
The IUPAC name of magnesium;6-bromo-1-(2-fluoropropan-2-yl)isoquinoline;1-(6-bromoisoquinolin-1-yl)ethanone;2-(6-bromoisoquinolin-1-yl)propan-2-ol;carbanide;1-(1,1-difluoroethyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-amine;oxolane;bromide (CID 157251491) is magnesium;6-bromo-1-(2-fluoropropan-2-yl)isoquinoline;1-(6-bromoisoquinolin-1-yl)ethanone;2-(6-bromoisoquinolin-1-yl)propan-2-ol;carbanide;1-(1,1-difluoroethyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-amine;oxolane;bromide.
What is the SMILES notation for magnesium;6-bromo-1-(2-fluoropropan-2-yl)isoquinoline;1-(6-bromoisoquinolin-1-yl)ethanone;2-(6-bromoisoquinolin-1-yl)propan-2-ol;carbanide;1-(1,1-difluoroethyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-amine;oxolane;bromide?
The canonical SMILES for magnesium;6-bromo-1-(2-fluoropropan-2-yl)isoquinoline;1-(6-bromoisoquinolin-1-yl)ethanone;2-(6-bromoisoquinolin-1-yl)propan-2-ol;carbanide;1-(1,1-difluoroethyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-amine;oxolane;bromide is C1CCOC1.CC(=O)c1nccc2cc(Br)ccc12.CC(C)(F)c1nccc2cc(Br)ccc12.CC(C)(O)c1nccc2cc(Br)ccc12.CC(F)(F)c1nccc2cc(Nc3[nH]nc4nccnc34)ccc12.COc1ccc(Cn2nc(N)c3ncccc32)cc1.[Br-].[CH3-].[Mg+2].
What is the InChIKey of magnesium;6-bromo-1-(2-fluoropropan-2-yl)isoquinoline;1-(6-bromoisoquinolin-1-yl)ethanone;2-(6-bromoisoquinolin-1-yl)propan-2-ol;carbanide;1-(1,1-difluoroethyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-amine;oxolane;bromide?
The InChIKey is MZONNYGZXMBWCG-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H12F2N6.C14H14N4O.C12H11BrFN.C12H12BrNO.C11H8BrNO.C4H8O.CH3.BrH.Mg/c1-16(17,18)13-11-3-2-10(8-9(11)4-5-20-13)22-15-12-14(23-24-15)21-7-6-19-12;1-19-11-6-4-10(5-7-11)9-18-12-3-2-8-16-13(12)14(15)17-18;1-12(2,14)11-10-4-3-9(13)7-8(10)5-6-15-11;1-12(2,15)11-10-4-3-9(13)7-8(10)5-6-14-11;1-7(14)11-10-3-2-9(12)6-8(10)4-5-13-11;1-2-4-5-3-1;;;/h2-8H,1H3,(H2,21,22,23,24);2-8H,9H2,1H3,(H2,15,17);3-7H,1-2H3;3-7,15H,1-2H3;2-6H,1H3;1-4H2;1H3;1H;/q;;;;;;-1;;+2/p-1.
What are the key properties of magnesium;6-bromo-1-(2-fluoropropan-2-yl)isoquinoline;1-(6-bromoisoquinolin-1-yl)ethanone;2-(6-bromoisoquinolin-1-yl)propan-2-ol;carbanide;1-(1,1-difluoroethyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-amine;oxolane;bromide?
magnesium;6-bromo-1-(2-fluoropropan-2-yl)isoquinoline;1-(6-bromoisoquinolin-1-yl)ethanone;2-(6-bromoisoquinolin-1-yl)propan-2-ol;carbanide;1-(1,1-difluoroethyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-amine;oxolane;bromide has a molecular weight of 1556.32 g/mol, XLogP of 14.32, 9 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;6-bromo-1-(2-fluoropropan-2-yl)isoquinoline;1-(6-bromoisoquinolin-1-yl)ethanone;2-(6-bromoisoquinolin-1-yl)propan-2-ol;carbanide;1-(1,1-difluoroethyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-amine;oxolane;bromide is sourced from PubChem (CID 157251491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).