magnesium;carbanide;4-[5-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[4,5-b]pyridin-1-yl]butanal;3-[[5-chloro-1-(4-hydroxypentyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;iodide

C42H45Cl2IMgN12O4 — CID 159077189

About magnesium;carbanide;4-[5-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[4,5-b]pyridin-1-yl]butanal;3-[[5-chloro-1-(4-hydroxypentyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;iodide

magnesium;carbanide;4-[5-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[4,5-b]pyridin-1-yl]butanal;3-[[5-chloro-1-(4-hydroxypentyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;iodide (PubChem CID 159077189) has the molecular formula C42H45Cl2IMgN12O4 and a molecular weight of 1004.02 g/mol. Its IUPAC name is magnesium;carbanide;4-[5-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[4,5-b]pyridin-1-yl]butanal;3-[[5-chloro-1-(4-hydroxypentyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;iodide.

Molecular Properties

• Compound Name: magnesium;carbanide;4-[5-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[4,5-b]pyridin-1-yl]butanal;3-[[5-chloro-1-(4-hydroxypentyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;iodide
• PubChem CID: 159077189
• Molecular Formula: C42H45Cl2IMgN12O4
• Molecular Weight: 1004.02 g/mol
• Exact Mass: 1002.20
• IUPAC Name: magnesium;carbanide;4-[5-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[4,5-b]pyridin-1-yl]butanal;3-[[5-chloro-1-(4-hydroxypentyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;iodide
• SMILES: CC(O)CCCn1c(Cn2c(=O)n(C3CC3)c3ccncc32)nc2nc(Cl)ccc21.O=CCCCn1c(Cn2c(=O)n(C3CC3)c3ccncc32)nc2nc(Cl)ccc21.[CH3-].[I-].[Mg+2]
• InChI: InChI=1S/C21H23ClN6O2.C20H19ClN6O2.CH3.HI.Mg/c1-13(29)3-2-10-26-16-6-7-18(22)24-20(16)25-19(26)12-27-17-11-23-9-8-15(17)28(21(27)30)14-4-5-14;21-17-6-5-15-19(23-17)24-18(25(15)9-1-2-10-28)12-26-16-11-22-8-7-14(16)27(20(26)29)13-3-4-13;;;/h6-9,11,13-14,29H,2-5,10,12H2,1H3;5-8,10-11,13H,1-4,9,12H2;1H3;1H;/q;;-1;;+2/p-1
• InChIKey: GIRNNVAHDPJVKI-UHFFFAOYSA-M
• XLogP: 3.17
• TPSA: 178.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 16
• Rotatable Bonds: 14
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1004.02
LogP ≤ 5	3.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of magnesium;carbanide;4-[5-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[4,5-b]pyridin-1-yl]butanal;3-[[5-chloro-1-(4-hydroxypentyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;iodide?

The IUPAC name of magnesium;carbanide;4-[5-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[4,5-b]pyridin-1-yl]butanal;3-[[5-chloro-1-(4-hydroxypentyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;iodide (CID 159077189) is magnesium;carbanide;4-[5-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[4,5-b]pyridin-1-yl]butanal;3-[[5-chloro-1-(4-hydroxypentyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;iodide.

What is the SMILES notation for magnesium;carbanide;4-[5-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[4,5-b]pyridin-1-yl]butanal;3-[[5-chloro-1-(4-hydroxypentyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;iodide?

The canonical SMILES for magnesium;carbanide;4-[5-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[4,5-b]pyridin-1-yl]butanal;3-[[5-chloro-1-(4-hydroxypentyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;iodide is CC(O)CCCn1c(Cn2c(=O)n(C3CC3)c3ccncc32)nc2nc(Cl)ccc21.O=CCCCn1c(Cn2c(=O)n(C3CC3)c3ccncc32)nc2nc(Cl)ccc21.[CH3-].[I-].[Mg+2].

What is the InChIKey of magnesium;carbanide;4-[5-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[4,5-b]pyridin-1-yl]butanal;3-[[5-chloro-1-(4-hydroxypentyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;iodide?

The InChIKey is GIRNNVAHDPJVKI-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H23ClN6O2.C20H19ClN6O2.CH3.HI.Mg/c1-13(29)3-2-10-26-16-6-7-18(22)24-20(16)25-19(26)12-27-17-11-23-9-8-15(17)28(21(27)30)14-4-5-14;21-17-6-5-15-19(23-17)24-18(25(15)9-1-2-10-28)12-26-16-11-22-8-7-14(16)27(20(26)29)13-3-4-13;;;/h6-9,11,13-14,29H,2-5,10,12H2,1H3;5-8,10-11,13H,1-4,9,12H2;1H3;1H;/q;;-1;;+2/p-1.

What are the key properties of magnesium;carbanide;4-[5-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[4,5-b]pyridin-1-yl]butanal;3-[[5-chloro-1-(4-hydroxypentyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;iodide?

magnesium;carbanide;4-[5-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[4,5-b]pyridin-1-yl]butanal;3-[[5-chloro-1-(4-hydroxypentyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;iodide has a molecular weight of 1004.02 g/mol, XLogP of 3.17, 14 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for magnesium;carbanide;4-[5-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[4,5-b]pyridin-1-yl]butanal;3-[[5-chloro-1-(4-hydroxypentyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;iodide is sourced from PubChem (CID 159077189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).