magnesium;7-acetyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)thieno[3,2-b]pyridine-2-carboxamide;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)-7-(1-ethoxyethenyl)thieno[3,2-b]pyridine-2-carboxamide;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)-7-(2-hydroxy-4-methylpentan-2-yl)thieno[3,2-b]pyridine-2-carboxamide;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)-7-(2-hydroxy-4-methylpent-3-en-2-yl)thieno[3,2-b]pyridine-2-carboxamide;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)-7-(4-methylpentan-2-yl)thieno[3,2-b]pyridine-2-carboxamide;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)-7-[(E)-4-methylpent-2-en-2-yl]thieno[3,2-b]pyridine-2-carboxamide;2-methylprop-1-ene;bromide

C148H173BrMgN18O16S6 — CID 158491501

IUPACmagnesium;7-acetyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)thieno[3,2-b]pyridine-2-carboxamide;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)-7-(1-ethoxyethenyl)thieno[3,2-b]pyridine-2-carboxamide;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)-7-(2-hydroxy-4-methylpentan-2-yl)thieno[3,2-b]pyridine-2-carboxamide;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)-7-(2-hydroxy-4-methylpent-3-en-2-yl)thieno[3,2-b]pyridine-2-carboxamide;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)-7-(4-methylpentan-2-yl)thieno[3,2-b]pyridine-2-carboxamide;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)-7-[(E)-4-methylpent-2-en-2-yl]thieno[3,2-b]pyridine-2-carboxamide;2-methylprop-1-ene;bromide
SMILESC/C(=C\C(C)C)c1ccnc2c(N(C)C)c(C(=O)N[C@H]3CCOc4ccccc43)sc12.C=C(OCC)c1ccnc2c(N(C)C)c(C(=O)N[C@H]3CCOc4ccccc43)sc12.CC(=O)c1ccnc2c(N(C)C)c(C(=O)N[C@H]3CCOc4ccccc43)sc12.CC(C)=CC(C)(O)c1ccnc2c(N(C)C)c(C(=O)N[C@H]3CCOc4ccccc43)sc12.CC(C)CC(C)(O)c1ccnc2c(N(C)C)c(C(=O)N[C@H]3CCOc4ccccc43)sc12.CC(C)CC(C)c1ccnc2c(N(C)C)c(C(=O)N[C@H]3CCOc4ccccc43)sc12.[Br-].[H][C-]=C(C)C.[Mg+2]
InChIInChI=1S/C25H31N3O3S.C25H29N3O3S.C25H31N3O2S.C25H29N3O2S.C23H25N3O3S.C21H21N3O3S.C4H7.BrH.Mg/c2*1-15(2)14-25(3,30)17-10-12-26-20-21(28(4)5)23(32-22(17)20)24(29)27-18-11-13-31-19-9-7-6-8-16(18)19;2*1-15(2)14-16(3)17-10-12-26-21-22(28(4)5)24(31-23(17)21)25(29)27-19-11-13-30-20-9-7-6-8-18(19)20;1-5-28-14(2)15-10-12-24-19-20(26(3)4)22(30-21(15)19)23(27)25-17-11-13-29-18-9-7-6-8-16(17)18;1-12(25)13-8-10-22-17-18(24(2)3)20(28-19(13)17)21(26)23-15-9-11-27-16-7-5-4-6-14(15)16;1-4(2)3;;/h6-10,12,15,18,30H,11,13-14H2,1-5H3,(H,27,29);6-10,12,14,18,30H,11,13H2,1-5H3,(H,27,29);6-10,12,15-16,19H,11,13-14H2,1-5H3,(H,27,29);6-10,12,14-15,19H,11,13H2,1-5H3,(H,27,29);6-10,12,17H,2,5,11,13H2,1,3-4H3,(H,25,27);4-8,10,15H,9,11H2,1-3H3,(H,23,26);1H,2-3H3;1H;/q;;;;;;-1;;+2/p-1/b;;;16-14+;;;;;/t2*18-,25?;16?,19-;19-;17-;15-;;;/m000000.../s1
InChIKeyDYQKLZAEPPFNQI-XWYZVLITSA-M
MW2756.73 g/mol
LogP27.55
Rot. Bonds32

About magnesium;7-acetyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)thieno[3,2-b]pyridine-2-carboxamide;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)-7-(1-ethoxyethenyl)thieno[3,2-b]pyridine-2-carboxamide;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)-7-(2-hydroxy-4-methylpentan-2-yl)thieno[3,2-b]pyridine-2-carboxamide;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)-7-(2-hydroxy-4-methylpent-3-en-2-yl)thieno[3,2-b]pyridine-2-carboxamide;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)-7-(4-methylpentan-2-yl)thieno[3,2-b]pyridine-2-carboxamide;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)-7-[(E)-4-methylpent-2-en-2-yl]thieno[3,2-b]pyridine-2-carboxamide;2-methylprop-1-ene;bromide

magnesium;7-acetyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)thieno[3,2-b]pyridine-2-carboxamide;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)-7-(1-ethoxyethenyl)thieno[3,2-b]pyridine-2-carboxamide;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)-7-(2-hydroxy-4-methylpentan-2-yl)thieno[3,2-b]pyridine-2-carboxamide;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)-7-(2-hydroxy-4-methylpent-3-en-2-yl)thieno[3,2-b]pyridine-2-carboxamide;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)-7-(4-methylpentan-2-yl)thieno[3,2-b]pyridine-2-carboxamide;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)-7-[(E)-4-methylpent-2-en-2-yl]thieno[3,2-b]pyridine-2-carboxamide;2-methylprop-1-ene;bromide (PubChem CID 158491501) has the molecular formula C148H173BrMgN18O16S6 and a molecular weight of 2756.73 g/mol. Its IUPAC name is magnesium;7-acetyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)thieno[3,2-b]pyridine-2-carboxamide;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)-7-(1-ethoxyethenyl)thieno[3,2-b]pyridine-2-carboxamide;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)-7-(2-hydroxy-4-methylpentan-2-yl)thieno[3,2-b]pyridine-2-carboxamide;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)-7-(2-hydroxy-4-methylpent-3-en-2-yl)thieno[3,2-b]pyridine-2-carboxamide;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)-7-(4-methylpentan-2-yl)thieno[3,2-b]pyridine-2-carboxamide;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)-7-[(E)-4-methylpent-2-en-2-yl]thieno[3,2-b]pyridine-2-carboxamide;2-methylprop-1-ene;bromide.

Molecular Properties

Compound Namemagnesium;7-acetyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)thieno[3,2-b]pyridine-2-carboxamide;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)-7-(1-ethoxyethenyl)thieno[3,2-b]pyridine-2-carboxamide;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)-7-(2-hydroxy-4-methylpentan-2-yl)thieno[3,2-b]pyridine-2-carboxamide;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)-7-(2-hydroxy-4-methylpent-3-en-2-yl)thieno[3,2-b]pyridine-2-carboxamide;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)-7-(4-methylpentan-2-yl)thieno[3,2-b]pyridine-2-carboxamide;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)-7-[(E)-4-methylpent-2-en-2-yl]thieno[3,2-b]pyridine-2-carboxamide;2-methylprop-1-ene;bromide
PubChem CID158491501
Molecular FormulaC148H173BrMgN18O16S6
Molecular Weight2756.73 g/mol
Exact Mass2753.06
IUPAC Namemagnesium;7-acetyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)thieno[3,2-b]pyridine-2-carboxamide;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)-7-(1-ethoxyethenyl)thieno[3,2-b]pyridine-2-carboxamide;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)-7-(2-hydroxy-4-methylpentan-2-yl)thieno[3,2-b]pyridine-2-carboxamide;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)-7-(2-hydroxy-4-methylpent-3-en-2-yl)thieno[3,2-b]pyridine-2-carboxamide;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)-7-(4-methylpentan-2-yl)thieno[3,2-b]pyridine-2-carboxamide;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)-7-[(E)-4-methylpent-2-en-2-yl]thieno[3,2-b]pyridine-2-carboxamide;2-methylprop-1-ene;bromide
SMILESC/C(=C\C(C)C)c1ccnc2c(N(C)C)c(C(=O)N[C@H]3CCOc4ccccc43)sc12.C=C(OCC)c1ccnc2c(N(C)C)c(C(=O)N[C@H]3CCOc4ccccc43)sc12.CC(=O)c1ccnc2c(N(C)C)c(C(=O)N[C@H]3CCOc4ccccc43)sc12.CC(C)=CC(C)(O)c1ccnc2c(N(C)C)c(C(=O)N[C@H]3CCOc4ccccc43)sc12.CC(C)CC(C)(O)c1ccnc2c(N(C)C)c(C(=O)N[C@H]3CCOc4ccccc43)sc12.CC(C)CC(C)c1ccnc2c(N(C)C)c(C(=O)N[C@H]3CCOc4ccccc43)sc12.[Br-].[H][C-]=C(C)C.[Mg+2]
InChIInChI=1S/C25H31N3O3S.C25H29N3O3S.C25H31N3O2S.C25H29N3O2S.C23H25N3O3S.C21H21N3O3S.C4H7.BrH.Mg/c2*1-15(2)14-25(3,30)17-10-12-26-20-21(28(4)5)23(32-22(17)20)24(29)27-18-11-13-31-19-9-7-6-8-16(18)19;2*1-15(2)14-16(3)17-10-12-26-21-22(28(4)5)24(31-23(17)21)25(29)27-19-11-13-30-20-9-7-6-8-18(19)20;1-5-28-14(2)15-10-12-24-19-20(26(3)4)22(30-21(15)19)23(27)25-17-11-13-29-18-9-7-6-8-16(17)18;1-12(25)13-8-10-22-17-18(24(2)3)20(28-19(13)17)21(26)23-15-9-11-27-16-7-5-4-6-14(15)16;1-4(2)3;;/h6-10,12,15,18,30H,11,13-14H2,1-5H3,(H,27,29);6-10,12,14,18,30H,11,13H2,1-5H3,(H,27,29);6-10,12,15-16,19H,11,13-14H2,1-5H3,(H,27,29);6-10,12,14-15,19H,11,13H2,1-5H3,(H,27,29);6-10,12,17H,2,5,11,13H2,1,3-4H3,(H,25,27);4-8,10,15H,9,11H2,1-3H3,(H,23,26);1H,2-3H3;1H;/q;;;;;;-1;;+2/p-1/b;;;16-14+;;;;;/t2*18-,25?;16?,19-;19-;17-;15-;;;/m000000.../s1
InChIKeyDYQKLZAEPPFNQI-XWYZVLITSA-M
XLogP27.55
TPSA393.52 Ų
H-Bond Donors8
H-Bond Acceptors34
Rotatable Bonds32
Heavy Atoms190
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002756.73
LogP ≤ 527.55
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze magnesium;7-acetyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)thieno[3,2-b]pyridine-2-carboxamide;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)-7-(1-ethoxyethenyl)thieno[3,2-b]pyridine-2-carboxamide;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)-7-(2-hydroxy-4-methylpentan-2-yl)thieno[3,2-b]pyridine-2-carboxamide;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)-7-(2-hydroxy-4-methylpent-3-en-2-yl)thieno[3,2-b]pyridine-2-carboxamide;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)-7-(4-methylpentan-2-yl)thieno[3,2-b]pyridine-2-carboxamide;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)-7-[(E)-4-methylpent-2-en-2-yl]thieno[3,2-b]pyridine-2-carboxamide;2-methylprop-1-ene;bromide with MolForge

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Frequently Asked Questions

What is the IUPAC name of magnesium;7-acetyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)thieno[3,2-b]pyridine-2-carboxamide;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)-7-(1-ethoxyethenyl)thieno[3,2-b]pyridine-2-carboxamide;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)-7-(2-hydroxy-4-methylpentan-2-yl)thieno[3,2-b]pyridine-2-carboxamide;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)-7-(2-hydroxy-4-methylpent-3-en-2-yl)thieno[3,2-b]pyridine-2-carboxamide;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)-7-(4-methylpentan-2-yl)thieno[3,2-b]pyridine-2-carboxamide;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)-7-[(E)-4-methylpent-2-en-2-yl]thieno[3,2-b]pyridine-2-carboxamide;2-methylprop-1-ene;bromide?
The IUPAC name of magnesium;7-acetyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)thieno[3,2-b]pyridine-2-carboxamide;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)-7-(1-ethoxyethenyl)thieno[3,2-b]pyridine-2-carboxamide;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)-7-(2-hydroxy-4-methylpentan-2-yl)thieno[3,2-b]pyridine-2-carboxamide;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)-7-(2-hydroxy-4-methylpent-3-en-2-yl)thieno[3,2-b]pyridine-2-carboxamide;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)-7-(4-methylpentan-2-yl)thieno[3,2-b]pyridine-2-carboxamide;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)-7-[(E)-4-methylpent-2-en-2-yl]thieno[3,2-b]pyridine-2-carboxamide;2-methylprop-1-ene;bromide (CID 158491501) is magnesium;7-acetyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)thieno[3,2-b]pyridine-2-carboxamide;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)-7-(1-ethoxyethenyl)thieno[3,2-b]pyridine-2-carboxamide;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)-7-(2-hydroxy-4-methylpentan-2-yl)thieno[3,2-b]pyridine-2-carboxamide;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)-7-(2-hydroxy-4-methylpent-3-en-2-yl)thieno[3,2-b]pyridine-2-carboxamide;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)-7-(4-methylpentan-2-yl)thieno[3,2-b]pyridine-2-carboxamide;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)-7-[(E)-4-methylpent-2-en-2-yl]thieno[3,2-b]pyridine-2-carboxamide;2-methylprop-1-ene;bromide.
What is the SMILES notation for magnesium;7-acetyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)thieno[3,2-b]pyridine-2-carboxamide;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)-7-(1-ethoxyethenyl)thieno[3,2-b]pyridine-2-carboxamide;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)-7-(2-hydroxy-4-methylpentan-2-yl)thieno[3,2-b]pyridine-2-carboxamide;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)-7-(2-hydroxy-4-methylpent-3-en-2-yl)thieno[3,2-b]pyridine-2-carboxamide;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)-7-(4-methylpentan-2-yl)thieno[3,2-b]pyridine-2-carboxamide;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)-7-[(E)-4-methylpent-2-en-2-yl]thieno[3,2-b]pyridine-2-carboxamide;2-methylprop-1-ene;bromide?
The canonical SMILES for magnesium;7-acetyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)thieno[3,2-b]pyridine-2-carboxamide;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)-7-(1-ethoxyethenyl)thieno[3,2-b]pyridine-2-carboxamide;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)-7-(2-hydroxy-4-methylpentan-2-yl)thieno[3,2-b]pyridine-2-carboxamide;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)-7-(2-hydroxy-4-methylpent-3-en-2-yl)thieno[3,2-b]pyridine-2-carboxamide;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)-7-(4-methylpentan-2-yl)thieno[3,2-b]pyridine-2-carboxamide;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)-7-[(E)-4-methylpent-2-en-2-yl]thieno[3,2-b]pyridine-2-carboxamide;2-methylprop-1-ene;bromide is C/C(=C\C(C)C)c1ccnc2c(N(C)C)c(C(=O)N[C@H]3CCOc4ccccc43)sc12.C=C(OCC)c1ccnc2c(N(C)C)c(C(=O)N[C@H]3CCOc4ccccc43)sc12.CC(=O)c1ccnc2c(N(C)C)c(C(=O)N[C@H]3CCOc4ccccc43)sc12.CC(C)=CC(C)(O)c1ccnc2c(N(C)C)c(C(=O)N[C@H]3CCOc4ccccc43)sc12.CC(C)CC(C)(O)c1ccnc2c(N(C)C)c(C(=O)N[C@H]3CCOc4ccccc43)sc12.CC(C)CC(C)c1ccnc2c(N(C)C)c(C(=O)N[C@H]3CCOc4ccccc43)sc12.[Br-].[H][C-]=C(C)C.[Mg+2].
What is the InChIKey of magnesium;7-acetyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)thieno[3,2-b]pyridine-2-carboxamide;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)-7-(1-ethoxyethenyl)thieno[3,2-b]pyridine-2-carboxamide;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)-7-(2-hydroxy-4-methylpentan-2-yl)thieno[3,2-b]pyridine-2-carboxamide;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)-7-(2-hydroxy-4-methylpent-3-en-2-yl)thieno[3,2-b]pyridine-2-carboxamide;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)-7-(4-methylpentan-2-yl)thieno[3,2-b]pyridine-2-carboxamide;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)-7-[(E)-4-methylpent-2-en-2-yl]thieno[3,2-b]pyridine-2-carboxamide;2-methylprop-1-ene;bromide?
The InChIKey is DYQKLZAEPPFNQI-XWYZVLITSA-M. The full InChI is InChI=1S/C25H31N3O3S.C25H29N3O3S.C25H31N3O2S.C25H29N3O2S.C23H25N3O3S.C21H21N3O3S.C4H7.BrH.Mg/c2*1-15(2)14-25(3,30)17-10-12-26-20-21(28(4)5)23(32-22(17)20)24(29)27-18-11-13-31-19-9-7-6-8-16(18)19;2*1-15(2)14-16(3)17-10-12-26-21-22(28(4)5)24(31-23(17)21)25(29)27-19-11-13-30-20-9-7-6-8-18(19)20;1-5-28-14(2)15-10-12-24-19-20(26(3)4)22(30-21(15)19)23(27)25-17-11-13-29-18-9-7-6-8-16(17)18;1-12(25)13-8-10-22-17-18(24(2)3)20(28-19(13)17)21(26)23-15-9-11-27-16-7-5-4-6-14(15)16;1-4(2)3;;/h6-10,12,15,18,30H,11,13-14H2,1-5H3,(H,27,29);6-10,12,14,18,30H,11,13H2,1-5H3,(H,27,29);6-10,12,15-16,19H,11,13-14H2,1-5H3,(H,27,29);6-10,12,14-15,19H,11,13H2,1-5H3,(H,27,29);6-10,12,17H,2,5,11,13H2,1,3-4H3,(H,25,27);4-8,10,15H,9,11H2,1-3H3,(H,23,26);1H,2-3H3;1H;/q;;;;;;-1;;+2/p-1/b;;;16-14+;;;;;/t2*18-,25?;16?,19-;19-;17-;15-;;;/m000000.../s1.
What are the key properties of magnesium;7-acetyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)thieno[3,2-b]pyridine-2-carboxamide;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)-7-(1-ethoxyethenyl)thieno[3,2-b]pyridine-2-carboxamide;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)-7-(2-hydroxy-4-methylpentan-2-yl)thieno[3,2-b]pyridine-2-carboxamide;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)-7-(2-hydroxy-4-methylpent-3-en-2-yl)thieno[3,2-b]pyridine-2-carboxamide;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)-7-(4-methylpentan-2-yl)thieno[3,2-b]pyridine-2-carboxamide;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)-7-[(E)-4-methylpent-2-en-2-yl]thieno[3,2-b]pyridine-2-carboxamide;2-methylprop-1-ene;bromide?
magnesium;7-acetyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)thieno[3,2-b]pyridine-2-carboxamide;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)-7-(1-ethoxyethenyl)thieno[3,2-b]pyridine-2-carboxamide;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)-7-(2-hydroxy-4-methylpentan-2-yl)thieno[3,2-b]pyridine-2-carboxamide;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)-7-(2-hydroxy-4-methylpent-3-en-2-yl)thieno[3,2-b]pyridine-2-carboxamide;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)-7-(4-methylpentan-2-yl)thieno[3,2-b]pyridine-2-carboxamide;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)-7-[(E)-4-methylpent-2-en-2-yl]thieno[3,2-b]pyridine-2-carboxamide;2-methylprop-1-ene;bromide has a molecular weight of 2756.73 g/mol, XLogP of 27.55, 32 rotatable bonds, 8 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;7-acetyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)thieno[3,2-b]pyridine-2-carboxamide;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)-7-(1-ethoxyethenyl)thieno[3,2-b]pyridine-2-carboxamide;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)-7-(2-hydroxy-4-methylpentan-2-yl)thieno[3,2-b]pyridine-2-carboxamide;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)-7-(2-hydroxy-4-methylpent-3-en-2-yl)thieno[3,2-b]pyridine-2-carboxamide;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)-7-(4-methylpentan-2-yl)thieno[3,2-b]pyridine-2-carboxamide;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)-7-[(E)-4-methylpent-2-en-2-yl]thieno[3,2-b]pyridine-2-carboxamide;2-methylprop-1-ene;bromide is sourced from PubChem (CID 158491501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).