N-[[5-[3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-4-methyl-3-pyridinyl]methyl]propan-2-amine;5-[3-[4-(methoxymethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-4-methylpyridine-3-carbaldehyde

C59H73N13O5Si2 — CID 159317060

About N-[[5-[3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-4-methyl-3-pyridinyl]methyl]propan-2-amine;5-[3-[4-(methoxymethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-4-methylpyridine-3-carbaldehyde

N-[[5-[3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-4-methyl-3-pyridinyl]methyl]propan-2-amine;5-[3-[4-(methoxymethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-4-methylpyridine-3-carbaldehyde (PubChem CID 159317060) has the molecular formula C59H73N13O5Si2 and a molecular weight of 1100.49 g/mol. Its IUPAC name is N-[[5-[3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-4-methyl-3-pyridinyl]methyl]propan-2-amine;5-[3-[4-(methoxymethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-4-methylpyridine-3-carbaldehyde.

Molecular Properties

• Compound Name: N-[[5-[3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-4-methyl-3-pyridinyl]methyl]propan-2-amine;5-[3-[4-(methoxymethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-4-methylpyridine-3-carbaldehyde
• PubChem CID: 159317060
• Molecular Formula: C59H73N13O5Si2
• Molecular Weight: 1100.49 g/mol
• Exact Mass: 1099.54
• IUPAC Name: N-[[5-[3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-4-methyl-3-pyridinyl]methyl]propan-2-amine;5-[3-[4-(methoxymethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-4-methylpyridine-3-carbaldehyde
• SMILES: COCc1cccc2[nH]c(-c3[nH]nc4ncc(-c5cncc(CNC(C)C)c5C)cc34)nc12.COCc1cccc2c1nc(-c1nn(COCC[Si](C)(C)C)c3ncc(-c4cncc(C=O)c4C)cc13)n2COCC[Si](C)(C)C
• InChI: InChI=1S/C34H46N6O4Si2.C25H27N7O/c1-24-27(20-41)17-35-19-29(24)26-16-28-32(38-40(33(28)36-18-26)23-44-13-15-46(6,7)8)34-37-31-25(21-42-2)10-9-11-30(31)39(34)22-43-12-14-45(3,4)5;1-14(2)27-11-18-9-26-12-20(15(18)3)17-8-19-23(31-32-24(19)28-10-17)25-29-21-7-5-6-16(13-33-4)22(21)30-25/h9-11,16-20H,12-15,21-23H2,1-8H3;5-10,12,14,27H,11,13H2,1-4H3,(H,29,30)(H,28,31,32)
• InChIKey: LDGSBHVCVPSTQZ-UHFFFAOYSA-N
• XLogP: 11.92
• TPSA: 210.58 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 22
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1100.49
LogP ≤ 5	11.92
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 N-[[5-[3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-4-methyl-3-pyridinyl]methyl]propan-2-amine;5-[3-[4-(methoxymethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-4-methylpyridine-3-carbaldehyde?

The IUPAC name of N-[[5-[3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-4-methyl-3-pyridinyl]methyl]propan-2-amine;5-[3-[4-(methoxymethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-4-methylpyridine-3-carbaldehyde (CID 159317060) is N-[[5-[3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-4-methyl-3-pyridinyl]methyl]propan-2-amine;5-[3-[4-(methoxymethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-4-methylpyridine-3-carbaldehyde.

What is the SMILES notation for N-[[5-[3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-4-methyl-3-pyridinyl]methyl]propan-2-amine;5-[3-[4-(methoxymethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-4-methylpyridine-3-carbaldehyde?

The canonical SMILES for N-[[5-[3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-4-methyl-3-pyridinyl]methyl]propan-2-amine;5-[3-[4-(methoxymethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-4-methylpyridine-3-carbaldehyde is COCc1cccc2[nH]c(-c3[nH]nc4ncc(-c5cncc(CNC(C)C)c5C)cc34)nc12.COCc1cccc2c1nc(-c1nn(COCC[Si](C)(C)C)c3ncc(-c4cncc(C=O)c4C)cc13)n2COCC[Si](C)(C)C.

What is the InChIKey of N-[[5-[3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-4-methyl-3-pyridinyl]methyl]propan-2-amine;5-[3-[4-(methoxymethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-4-methylpyridine-3-carbaldehyde?

The InChIKey is LDGSBHVCVPSTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H46N6O4Si2.C25H27N7O/c1-24-27(20-41)17-35-19-29(24)26-16-28-32(38-40(33(28)36-18-26)23-44-13-15-46(6,7)8)34-37-31-25(21-42-2)10-9-11-30(31)39(34)22-43-12-14-45(3,4)5;1-14(2)27-11-18-9-26-12-20(15(18)3)17-8-19-23(31-32-24(19)28-10-17)25-29-21-7-5-6-16(13-33-4)22(21)30-25/h9-11,16-20H,12-15,21-23H2,1-8H3;5-10,12,14,27H,11,13H2,1-4H3,(H,29,30)(H,28,31,32).

What are the key properties of N-[[5-[3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-4-methyl-3-pyridinyl]methyl]propan-2-amine;5-[3-[4-(methoxymethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-4-methylpyridine-3-carbaldehyde?

N-[[5-[3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-4-methyl-3-pyridinyl]methyl]propan-2-amine;5-[3-[4-(methoxymethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-4-methylpyridine-3-carbaldehyde has a molecular weight of 1100.49 g/mol, XLogP of 11.92, 22 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-[3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-4-methyl-3-pyridinyl]methyl]propan-2-amine;5-[3-[4-(methoxymethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-4-methylpyridine-3-carbaldehyde is sourced from PubChem (CID 159317060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).