magnesium;carbanide;3,5-difluoropyridine-2-carbonitrile;(2S,3R,4R,5S,6R)-2,3-dihydroxy-10-methoxy-6-(4-methoxyphenyl)-N,N-dimethyl-5-phenyl-7-oxa-12-azatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene-4-carboxamide;1-(3,5-dihydroxy-2-pyridinyl)ethanone;3,5-dimethoxypyridine-2-carbonitrile;1-(3,5-dimethoxy-2-pyridinyl)ethanone;ethanol;3-hydroxy-7-methoxy-2-(4-methoxyphenyl)pyrano[3,2-b]pyridin-4-one;1-(3-hydroxy-5-methoxy-2-pyridinyl)ethanone;(E)-1-(3-hydroxy-5-methoxy-2-pyridinyl)-3-(4-methoxyphenyl)prop-2-en-1-one;4-methoxybenzaldehyde;methyl (E)-3-phenylprop-2-enoate;oxolane;chloride

C122H128ClF2MgN11O32 — CID 157267556

About magnesium;carbanide;3,5-difluoropyridine-2-carbonitrile;(2S,3R,4R,5S,6R)-2,3-dihydroxy-10-methoxy-6-(4-methoxyphenyl)-N,N-dimethyl-5-phenyl-7-oxa-12-azatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene-4-carboxamide;1-(3,5-dihydroxy-2-pyridinyl)ethanone;3,5-dimethoxypyridine-2-carbonitrile;1-(3,5-dimethoxy-2-pyridinyl)ethanone;ethanol;3-hydroxy-7-methoxy-2-(4-methoxyphenyl)pyrano[3,2-b]pyridin-4-one;1-(3-hydroxy-5-methoxy-2-pyridinyl)ethanone;(E)-1-(3-hydroxy-5-methoxy-2-pyridinyl)-3-(4-methoxyphenyl)prop-2-en-1-one;4-methoxybenzaldehyde;methyl (E)-3-phenylprop-2-enoate;oxolane;chloride

magnesium;carbanide;3,5-difluoropyridine-2-carbonitrile;(2S,3R,4R,5S,6R)-2,3-dihydroxy-10-methoxy-6-(4-methoxyphenyl)-N,N-dimethyl-5-phenyl-7-oxa-12-azatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene-4-carboxamide;1-(3,5-dihydroxy-2-pyridinyl)ethanone;3,5-dimethoxypyridine-2-carbonitrile;1-(3,5-dimethoxy-2-pyridinyl)ethanone;ethanol;3-hydroxy-7-methoxy-2-(4-methoxyphenyl)pyrano[3,2-b]pyridin-4-one;1-(3-hydroxy-5-methoxy-2-pyridinyl)ethanone;(E)-1-(3-hydroxy-5-methoxy-2-pyridinyl)-3-(4-methoxyphenyl)prop-2-en-1-one;4-methoxybenzaldehyde;methyl (E)-3-phenylprop-2-enoate;oxolane;chloride (PubChem CID 157267556) has the molecular formula C122H128ClF2MgN11O32 and a molecular weight of 2358.16 g/mol. Its IUPAC name is magnesium;carbanide;3,5-difluoropyridine-2-carbonitrile;(2S,3R,4R,5S,6R)-2,3-dihydroxy-10-methoxy-6-(4-methoxyphenyl)-N,N-dimethyl-5-phenyl-7-oxa-12-azatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene-4-carboxamide;1-(3,5-dihydroxy-2-pyridinyl)ethanone;3,5-dimethoxypyridine-2-carbonitrile;1-(3,5-dimethoxy-2-pyridinyl)ethanone;ethanol;3-hydroxy-7-methoxy-2-(4-methoxyphenyl)pyrano[3,2-b]pyridin-4-one;1-(3-hydroxy-5-methoxy-2-pyridinyl)ethanone;(E)-1-(3-hydroxy-5-methoxy-2-pyridinyl)-3-(4-methoxyphenyl)prop-2-en-1-one;4-methoxybenzaldehyde;methyl (E)-3-phenylprop-2-enoate;oxolane;chloride.

Molecular Properties

• Compound Name: magnesium;carbanide;3,5-difluoropyridine-2-carbonitrile;(2S,3R,4R,5S,6R)-2,3-dihydroxy-10-methoxy-6-(4-methoxyphenyl)-N,N-dimethyl-5-phenyl-7-oxa-12-azatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene-4-carboxamide;1-(3,5-dihydroxy-2-pyridinyl)ethanone;3,5-dimethoxypyridine-2-carbonitrile;1-(3,5-dimethoxy-2-pyridinyl)ethanone;ethanol;3-hydroxy-7-methoxy-2-(4-methoxyphenyl)pyrano[3,2-b]pyridin-4-one;1-(3-hydroxy-5-methoxy-2-pyridinyl)ethanone;(E)-1-(3-hydroxy-5-methoxy-2-pyridinyl)-3-(4-methoxyphenyl)prop-2-en-1-one;4-methoxybenzaldehyde;methyl (E)-3-phenylprop-2-enoate;oxolane;chloride
• PubChem CID: 157267556
• Molecular Formula: C122H128ClF2MgN11O32
• Molecular Weight: 2358.16 g/mol
• Exact Mass: 2355.82
• IUPAC Name: magnesium;carbanide;3,5-difluoropyridine-2-carbonitrile;(2S,3R,4R,5S,6R)-2,3-dihydroxy-10-methoxy-6-(4-methoxyphenyl)-N,N-dimethyl-5-phenyl-7-oxa-12-azatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene-4-carboxamide;1-(3,5-dihydroxy-2-pyridinyl)ethanone;3,5-dimethoxypyridine-2-carbonitrile;1-(3,5-dimethoxy-2-pyridinyl)ethanone;ethanol;3-hydroxy-7-methoxy-2-(4-methoxyphenyl)pyrano[3,2-b]pyridin-4-one;1-(3-hydroxy-5-methoxy-2-pyridinyl)ethanone;(E)-1-(3-hydroxy-5-methoxy-2-pyridinyl)-3-(4-methoxyphenyl)prop-2-en-1-one;4-methoxybenzaldehyde;methyl (E)-3-phenylprop-2-enoate;oxolane;chloride
• SMILES: C1CCOC1.CC(=O)c1ncc(O)cc1O.CCO.COC(=O)/C=C/c1ccccc1.COc1ccc(-c2oc3cc(OC)cnc3c(=O)c2O)cc1.COc1ccc(/C=C/C(=O)c2ncc(OC)cc2O)cc1.COc1ccc(C=O)cc1.COc1ccc([C@@]23Oc4cc(OC)cnc4[C@]2(O)[C@H](O)[C@H](C(=O)N(C)C)[C@H]3c2ccccc2)cc1.COc1cnc(C#N)c(OC)c1.COc1cnc(C(C)=O)c(O)c1.COc1cnc(C(C)=O)c(OC)c1.N#Cc1ncc(F)cc1F.[CH3-].[Cl-].[Mg+2]
• InChI: InChI=1S/C27H28N2O6.C16H13NO5.C16H15NO4.C10H10O2.C9H11NO3.C8H8N2O2.C8H9NO3.C8H8O2.C7H7NO3.C6H2F2N2.C4H8O.C2H6O.CH3.ClH.Mg/c1-29(2)25(31)21-22(16-8-6-5-7-9-16)27(17-10-12-18(33-3)13-11-17)26(32,24(21)30)23-20(35-27)14-19(34-4)15-28-23;1-20-10-5-3-9(4-6-10)16-15(19)14(18)13-12(22-16)7-11(21-2)8-17-13;1-20-12-6-3-11(4-7-12)5-8-14(18)16-15(19)9-13(21-2)10-17-16;1-12-10(11)8-7-9-5-3-2-4-6-9;1-6(11)9-8(13-3)4-7(12-2)5-10-9;1-11-6-3-8(12-2)7(4-9)10-5-6;1-5(10)8-7(11)3-6(12-2)4-9-8;1-10-8-4-2-7(6-9)3-5-8;1-4(9)7-6(11)2-5(10)3-8-7;7-4-1-5(8)6(2-9)10-3-4;1-2-4-5-3-1;1-2-3;;;/h5-15,21-22,24,30,32H,1-4H3;3-8,19H,1-2H3;3-10,19H,1-2H3;2-8H,1H3;4-5H,1-3H3;3,5H,1-2H3;3-4,11H,1-2H3;2-6H,1H3;2-3,10-11H,1H3;1,3H;1-4H2;3H,2H2,1H3;1H3;1H;/q;;;;;;;;;;;;-1;;+2/p-1/b;;8-5+;8-7+;;;;;;;;;;;/t21-,22-,24-,26+,27+;;;;;;;;;;;;;;/m1............../s1
• InChIKey: HMKXWLGJGFGGPO-PYQOXJQWSA-M
• XLogP: 14.16
• TPSA: 603.93 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 42
• Rotatable Bonds: 25
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2358.16
LogP ≤ 5	14.16
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of magnesium;carbanide;3,5-difluoropyridine-2-carbonitrile;(2S,3R,4R,5S,6R)-2,3-dihydroxy-10-methoxy-6-(4-methoxyphenyl)-N,N-dimethyl-5-phenyl-7-oxa-12-azatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene-4-carboxamide;1-(3,5-dihydroxy-2-pyridinyl)ethanone;3,5-dimethoxypyridine-2-carbonitrile;1-(3,5-dimethoxy-2-pyridinyl)ethanone;ethanol;3-hydroxy-7-methoxy-2-(4-methoxyphenyl)pyrano[3,2-b]pyridin-4-one;1-(3-hydroxy-5-methoxy-2-pyridinyl)ethanone;(E)-1-(3-hydroxy-5-methoxy-2-pyridinyl)-3-(4-methoxyphenyl)prop-2-en-1-one;4-methoxybenzaldehyde;methyl (E)-3-phenylprop-2-enoate;oxolane;chloride?

The IUPAC name of magnesium;carbanide;3,5-difluoropyridine-2-carbonitrile;(2S,3R,4R,5S,6R)-2,3-dihydroxy-10-methoxy-6-(4-methoxyphenyl)-N,N-dimethyl-5-phenyl-7-oxa-12-azatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene-4-carboxamide;1-(3,5-dihydroxy-2-pyridinyl)ethanone;3,5-dimethoxypyridine-2-carbonitrile;1-(3,5-dimethoxy-2-pyridinyl)ethanone;ethanol;3-hydroxy-7-methoxy-2-(4-methoxyphenyl)pyrano[3,2-b]pyridin-4-one;1-(3-hydroxy-5-methoxy-2-pyridinyl)ethanone;(E)-1-(3-hydroxy-5-methoxy-2-pyridinyl)-3-(4-methoxyphenyl)prop-2-en-1-one;4-methoxybenzaldehyde;methyl (E)-3-phenylprop-2-enoate;oxolane;chloride (CID 157267556) is magnesium;carbanide;3,5-difluoropyridine-2-carbonitrile;(2S,3R,4R,5S,6R)-2,3-dihydroxy-10-methoxy-6-(4-methoxyphenyl)-N,N-dimethyl-5-phenyl-7-oxa-12-azatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene-4-carboxamide;1-(3,5-dihydroxy-2-pyridinyl)ethanone;3,5-dimethoxypyridine-2-carbonitrile;1-(3,5-dimethoxy-2-pyridinyl)ethanone;ethanol;3-hydroxy-7-methoxy-2-(4-methoxyphenyl)pyrano[3,2-b]pyridin-4-one;1-(3-hydroxy-5-methoxy-2-pyridinyl)ethanone;(E)-1-(3-hydroxy-5-methoxy-2-pyridinyl)-3-(4-methoxyphenyl)prop-2-en-1-one;4-methoxybenzaldehyde;methyl (E)-3-phenylprop-2-enoate;oxolane;chloride.

What is the SMILES notation for magnesium;carbanide;3,5-difluoropyridine-2-carbonitrile;(2S,3R,4R,5S,6R)-2,3-dihydroxy-10-methoxy-6-(4-methoxyphenyl)-N,N-dimethyl-5-phenyl-7-oxa-12-azatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene-4-carboxamide;1-(3,5-dihydroxy-2-pyridinyl)ethanone;3,5-dimethoxypyridine-2-carbonitrile;1-(3,5-dimethoxy-2-pyridinyl)ethanone;ethanol;3-hydroxy-7-methoxy-2-(4-methoxyphenyl)pyrano[3,2-b]pyridin-4-one;1-(3-hydroxy-5-methoxy-2-pyridinyl)ethanone;(E)-1-(3-hydroxy-5-methoxy-2-pyridinyl)-3-(4-methoxyphenyl)prop-2-en-1-one;4-methoxybenzaldehyde;methyl (E)-3-phenylprop-2-enoate;oxolane;chloride?

The canonical SMILES for magnesium;carbanide;3,5-difluoropyridine-2-carbonitrile;(2S,3R,4R,5S,6R)-2,3-dihydroxy-10-methoxy-6-(4-methoxyphenyl)-N,N-dimethyl-5-phenyl-7-oxa-12-azatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene-4-carboxamide;1-(3,5-dihydroxy-2-pyridinyl)ethanone;3,5-dimethoxypyridine-2-carbonitrile;1-(3,5-dimethoxy-2-pyridinyl)ethanone;ethanol;3-hydroxy-7-methoxy-2-(4-methoxyphenyl)pyrano[3,2-b]pyridin-4-one;1-(3-hydroxy-5-methoxy-2-pyridinyl)ethanone;(E)-1-(3-hydroxy-5-methoxy-2-pyridinyl)-3-(4-methoxyphenyl)prop-2-en-1-one;4-methoxybenzaldehyde;methyl (E)-3-phenylprop-2-enoate;oxolane;chloride is C1CCOC1.CC(=O)c1ncc(O)cc1O.CCO.COC(=O)/C=C/c1ccccc1.COc1ccc(-c2oc3cc(OC)cnc3c(=O)c2O)cc1.COc1ccc(/C=C/C(=O)c2ncc(OC)cc2O)cc1.COc1ccc(C=O)cc1.COc1ccc([C@@]23Oc4cc(OC)cnc4[C@]2(O)[C@H](O)[C@H](C(=O)N(C)C)[C@H]3c2ccccc2)cc1.COc1cnc(C#N)c(OC)c1.COc1cnc(C(C)=O)c(O)c1.COc1cnc(C(C)=O)c(OC)c1.N#Cc1ncc(F)cc1F.[CH3-].[Cl-].[Mg+2].

What is the InChIKey of magnesium;carbanide;3,5-difluoropyridine-2-carbonitrile;(2S,3R,4R,5S,6R)-2,3-dihydroxy-10-methoxy-6-(4-methoxyphenyl)-N,N-dimethyl-5-phenyl-7-oxa-12-azatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene-4-carboxamide;1-(3,5-dihydroxy-2-pyridinyl)ethanone;3,5-dimethoxypyridine-2-carbonitrile;1-(3,5-dimethoxy-2-pyridinyl)ethanone;ethanol;3-hydroxy-7-methoxy-2-(4-methoxyphenyl)pyrano[3,2-b]pyridin-4-one;1-(3-hydroxy-5-methoxy-2-pyridinyl)ethanone;(E)-1-(3-hydroxy-5-methoxy-2-pyridinyl)-3-(4-methoxyphenyl)prop-2-en-1-one;4-methoxybenzaldehyde;methyl (E)-3-phenylprop-2-enoate;oxolane;chloride?

The InChIKey is HMKXWLGJGFGGPO-PYQOXJQWSA-M. The full InChI is InChI=1S/C27H28N2O6.C16H13NO5.C16H15NO4.C10H10O2.C9H11NO3.C8H8N2O2.C8H9NO3.C8H8O2.C7H7NO3.C6H2F2N2.C4H8O.C2H6O.CH3.ClH.Mg/c1-29(2)25(31)21-22(16-8-6-5-7-9-16)27(17-10-12-18(33-3)13-11-17)26(32,24(21)30)23-20(35-27)14-19(34-4)15-28-23;1-20-10-5-3-9(4-6-10)16-15(19)14(18)13-12(22-16)7-11(21-2)8-17-13;1-20-12-6-3-11(4-7-12)5-8-14(18)16-15(19)9-13(21-2)10-17-16;1-12-10(11)8-7-9-5-3-2-4-6-9;1-6(11)9-8(13-3)4-7(12-2)5-10-9;1-11-6-3-8(12-2)7(4-9)10-5-6;1-5(10)8-7(11)3-6(12-2)4-9-8;1-10-8-4-2-7(6-9)3-5-8;1-4(9)7-6(11)2-5(10)3-8-7;7-4-1-5(8)6(2-9)10-3-4;1-2-4-5-3-1;1-2-3;;;/h5-15,21-22,24,30,32H,1-4H3;3-8,19H,1-2H3;3-10,19H,1-2H3;2-8H,1H3;4-5H,1-3H3;3,5H,1-2H3;3-4,11H,1-2H3;2-6H,1H3;2-3,10-11H,1H3;1,3H;1-4H2;3H,2H2,1H3;1H3;1H;/q;;;;;;;;;;;;-1;;+2/p-1/b;;8-5+;8-7+;;;;;;;;;;;/t21-,22-,24-,26+,27+;;;;;;;;;;;;;;/m1............../s1.

What are the key properties of magnesium;carbanide;3,5-difluoropyridine-2-carbonitrile;(2S,3R,4R,5S,6R)-2,3-dihydroxy-10-methoxy-6-(4-methoxyphenyl)-N,N-dimethyl-5-phenyl-7-oxa-12-azatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene-4-carboxamide;1-(3,5-dihydroxy-2-pyridinyl)ethanone;3,5-dimethoxypyridine-2-carbonitrile;1-(3,5-dimethoxy-2-pyridinyl)ethanone;ethanol;3-hydroxy-7-methoxy-2-(4-methoxyphenyl)pyrano[3,2-b]pyridin-4-one;1-(3-hydroxy-5-methoxy-2-pyridinyl)ethanone;(E)-1-(3-hydroxy-5-methoxy-2-pyridinyl)-3-(4-methoxyphenyl)prop-2-en-1-one;4-methoxybenzaldehyde;methyl (E)-3-phenylprop-2-enoate;oxolane;chloride?

magnesium;carbanide;3,5-difluoropyridine-2-carbonitrile;(2S,3R,4R,5S,6R)-2,3-dihydroxy-10-methoxy-6-(4-methoxyphenyl)-N,N-dimethyl-5-phenyl-7-oxa-12-azatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene-4-carboxamide;1-(3,5-dihydroxy-2-pyridinyl)ethanone;3,5-dimethoxypyridine-2-carbonitrile;1-(3,5-dimethoxy-2-pyridinyl)ethanone;ethanol;3-hydroxy-7-methoxy-2-(4-methoxyphenyl)pyrano[3,2-b]pyridin-4-one;1-(3-hydroxy-5-methoxy-2-pyridinyl)ethanone;(E)-1-(3-hydroxy-5-methoxy-2-pyridinyl)-3-(4-methoxyphenyl)prop-2-en-1-one;4-methoxybenzaldehyde;methyl (E)-3-phenylprop-2-enoate;oxolane;chloride has a molecular weight of 2358.16 g/mol, XLogP of 14.16, 25 rotatable bonds, 8 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for magnesium;carbanide;3,5-difluoropyridine-2-carbonitrile;(2S,3R,4R,5S,6R)-2,3-dihydroxy-10-methoxy-6-(4-methoxyphenyl)-N,N-dimethyl-5-phenyl-7-oxa-12-azatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene-4-carboxamide;1-(3,5-dihydroxy-2-pyridinyl)ethanone;3,5-dimethoxypyridine-2-carbonitrile;1-(3,5-dimethoxy-2-pyridinyl)ethanone;ethanol;3-hydroxy-7-methoxy-2-(4-methoxyphenyl)pyrano[3,2-b]pyridin-4-one;1-(3-hydroxy-5-methoxy-2-pyridinyl)ethanone;(E)-1-(3-hydroxy-5-methoxy-2-pyridinyl)-3-(4-methoxyphenyl)prop-2-en-1-one;4-methoxybenzaldehyde;methyl (E)-3-phenylprop-2-enoate;oxolane;chloride is sourced from PubChem (CID 157267556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).