magnesium;4-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-3-(1H-indol-3-yl)-1,2-dihydropyrrol-5-one;(3R,4R)-3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-4-(1H-indol-3-yl)pyrrolidin-2-one;hydride;methanol

C47H46MgN6O3 — CID 157154091

About magnesium;4-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-3-(1H-indol-3-yl)-1,2-dihydropyrrol-5-one;(3R,4R)-3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-4-(1H-indol-3-yl)pyrrolidin-2-one;hydride;methanol

magnesium;4-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-3-(1H-indol-3-yl)-1,2-dihydropyrrol-5-one;(3R,4R)-3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-4-(1H-indol-3-yl)pyrrolidin-2-one;hydride;methanol (PubChem CID 157154091) has the molecular formula C47H46MgN6O3 and a molecular weight of 767.23 g/mol. Its IUPAC name is magnesium;4-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-3-(1H-indol-3-yl)-1,2-dihydropyrrol-5-one;(3R,4R)-3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-4-(1H-indol-3-yl)pyrrolidin-2-one;hydride;methanol.

Molecular Properties

• Compound Name: magnesium;4-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-3-(1H-indol-3-yl)-1,2-dihydropyrrol-5-one;(3R,4R)-3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-4-(1H-indol-3-yl)pyrrolidin-2-one;hydride;methanol
• PubChem CID: 157154091
• Molecular Formula: C47H46MgN6O3
• Molecular Weight: 767.23 g/mol
• Exact Mass: 766.35
• IUPAC Name: magnesium;4-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-3-(1H-indol-3-yl)-1,2-dihydropyrrol-5-one;(3R,4R)-3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-4-(1H-indol-3-yl)pyrrolidin-2-one;hydride;methanol
• SMILES: CO.O=C1NCC(c2c[nH]c3ccccc23)=C1c1cn2c3c(cccc13)CCC2.O=C1NC[C@@H](c2c[nH]c3ccccc23)[C@@H]1c1cn2c3c(cccc13)CCC2.[H-].[H-].[Mg+2]
• InChI: InChI=1S/C23H21N3O.C23H19N3O.CH4O.Mg.2H/c2*27-23-21(18(12-25-23)17-11-24-20-9-2-1-7-15(17)20)19-13-26-10-4-6-14-5-3-8-16(19)22(14)26;1-2;;;/h1-3,5,7-9,11,13,18,21,24H,4,6,10,12H2,(H,25,27);1-3,5,7-9,11,13,24H,4,6,10,12H2,(H,25,27);2H,1H3;;;/q;;;+2;2*-1/t18-,21+;;;;;/m0...../s1
• InChIKey: KXIQCFWZMZJZQR-VWZAKVEZSA-N
• XLogP: 7.63
• TPSA: 119.87 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	767.23
LogP ≤ 5	7.63
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of magnesium;4-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-3-(1H-indol-3-yl)-1,2-dihydropyrrol-5-one;(3R,4R)-3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-4-(1H-indol-3-yl)pyrrolidin-2-one;hydride;methanol?

The IUPAC name of magnesium;4-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-3-(1H-indol-3-yl)-1,2-dihydropyrrol-5-one;(3R,4R)-3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-4-(1H-indol-3-yl)pyrrolidin-2-one;hydride;methanol (CID 157154091) is magnesium;4-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-3-(1H-indol-3-yl)-1,2-dihydropyrrol-5-one;(3R,4R)-3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-4-(1H-indol-3-yl)pyrrolidin-2-one;hydride;methanol.

What is the SMILES notation for magnesium;4-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-3-(1H-indol-3-yl)-1,2-dihydropyrrol-5-one;(3R,4R)-3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-4-(1H-indol-3-yl)pyrrolidin-2-one;hydride;methanol?

The canonical SMILES for magnesium;4-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-3-(1H-indol-3-yl)-1,2-dihydropyrrol-5-one;(3R,4R)-3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-4-(1H-indol-3-yl)pyrrolidin-2-one;hydride;methanol is CO.O=C1NCC(c2c[nH]c3ccccc23)=C1c1cn2c3c(cccc13)CCC2.O=C1NC[C@@H](c2c[nH]c3ccccc23)[C@@H]1c1cn2c3c(cccc13)CCC2.[H-].[H-].[Mg+2].

What is the InChIKey of magnesium;4-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-3-(1H-indol-3-yl)-1,2-dihydropyrrol-5-one;(3R,4R)-3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-4-(1H-indol-3-yl)pyrrolidin-2-one;hydride;methanol?

The InChIKey is KXIQCFWZMZJZQR-VWZAKVEZSA-N. The full InChI is InChI=1S/C23H21N3O.C23H19N3O.CH4O.Mg.2H/c2*27-23-21(18(12-25-23)17-11-24-20-9-2-1-7-15(17)20)19-13-26-10-4-6-14-5-3-8-16(19)22(14)26;1-2;;;/h1-3,5,7-9,11,13,18,21,24H,4,6,10,12H2,(H,25,27);1-3,5,7-9,11,13,24H,4,6,10,12H2,(H,25,27);2H,1H3;;;/q;;;+2;2*-1/t18-,21+;;;;;/m0...../s1.

What are the key properties of magnesium;4-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-3-(1H-indol-3-yl)-1,2-dihydropyrrol-5-one;(3R,4R)-3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-4-(1H-indol-3-yl)pyrrolidin-2-one;hydride;methanol?

magnesium;4-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-3-(1H-indol-3-yl)-1,2-dihydropyrrol-5-one;(3R,4R)-3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-4-(1H-indol-3-yl)pyrrolidin-2-one;hydride;methanol has a molecular weight of 767.23 g/mol, XLogP of 7.63, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for magnesium;4-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-3-(1H-indol-3-yl)-1,2-dihydropyrrol-5-one;(3R,4R)-3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-4-(1H-indol-3-yl)pyrrolidin-2-one;hydride;methanol is sourced from PubChem (CID 157154091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).