dioxomanganese;5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbaldehyde;[5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanol

C38H54MnN12O6Si2 — CID 165061142

About dioxomanganese;5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbaldehyde;[5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanol

dioxomanganese;5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbaldehyde;[5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanol (PubChem CID 165061142) has the molecular formula C38H54MnN12O6Si2 and a molecular weight of 886.04 g/mol. Its IUPAC name is dioxomanganese;5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbaldehyde;[5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanol.

Molecular Properties

• Compound Name: dioxomanganese;5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbaldehyde;[5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanol
• PubChem CID: 165061142
• Molecular Formula: C38H54MnN12O6Si2
• Molecular Weight: 886.04 g/mol
• Exact Mass: 885.32
• IUPAC Name: dioxomanganese;5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbaldehyde;[5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanol
• SMILES: C[Si](C)(C)CCOCn1ccc2c(N3CCc4[nH]nc(C=O)c4C3)ncnc21.C[Si](C)(C)CCOCn1ccc2c(N3CCc4[nH]nc(CO)c4C3)ncnc21.O=[Mn]=O
• InChI: InChI=1S/C19H28N6O2Si.C19H26N6O2Si.Mn.2O/c2*1-28(2,3)9-8-27-13-25-6-4-14-18(20-12-21-19(14)25)24-7-5-16-15(10-24)17(11-26)23-22-16;;;/h4,6,12,26H,5,7-11,13H2,1-3H3,(H,22,23);4,6,11-12H,5,7-10,13H2,1-3H3,(H,22,23)
• InChIKey: ALENIMCJTAIVLM-UHFFFAOYSA-N
• XLogP: 5.12
• TPSA: 215.16 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 14
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	886.04
LogP ≤ 5	5.12
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dioxomanganese;5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbaldehyde;[5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanol?

The IUPAC name of dioxomanganese;5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbaldehyde;[5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanol (CID 165061142) is dioxomanganese;5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbaldehyde;[5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanol.

What is the SMILES notation for dioxomanganese;5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbaldehyde;[5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanol?

The canonical SMILES for dioxomanganese;5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbaldehyde;[5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanol is C[Si](C)(C)CCOCn1ccc2c(N3CCc4[nH]nc(C=O)c4C3)ncnc21.C[Si](C)(C)CCOCn1ccc2c(N3CCc4[nH]nc(CO)c4C3)ncnc21.O=[Mn]=O.

What is the InChIKey of dioxomanganese;5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbaldehyde;[5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanol?

The InChIKey is ALENIMCJTAIVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O2Si.C19H26N6O2Si.Mn.2O/c2*1-28(2,3)9-8-27-13-25-6-4-14-18(20-12-21-19(14)25)24-7-5-16-15(10-24)17(11-26)23-22-16;;;/h4,6,12,26H,5,7-11,13H2,1-3H3,(H,22,23);4,6,11-12H,5,7-10,13H2,1-3H3,(H,22,23);;;.

What are the key properties of dioxomanganese;5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbaldehyde;[5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanol?

dioxomanganese;5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbaldehyde;[5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanol has a molecular weight of 886.04 g/mol, XLogP of 5.12, 14 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for dioxomanganese;5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbaldehyde;[5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanol is sourced from PubChem (CID 165061142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).