methanamine;1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[3,4-c]pyridine-3-carbaldehyde

C26H29N5O4 — CID 166529379

About methanamine;1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[3,4-c]pyridine-3-carbaldehyde

methanamine;1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[3,4-c]pyridine-3-carbaldehyde (PubChem CID 166529379) has the molecular formula C26H29N5O4 and a molecular weight of 475.55 g/mol. Its IUPAC name is methanamine;1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[3,4-c]pyridine-3-carbaldehyde.

Molecular Properties

• Compound Name: methanamine;1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[3,4-c]pyridine-3-carbaldehyde
• PubChem CID: 166529379
• Molecular Formula: C26H29N5O4
• Molecular Weight: 475.55 g/mol
• Exact Mass: 475.22
• IUPAC Name: methanamine;1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[3,4-c]pyridine-3-carbaldehyde
• SMILES: CN.COc1ccc(-n2nc(C=O)c3c2C(=O)N(c2ccc(N4CCCCC4=O)cc2)CC3)cc1
• InChI: InChI=1S/C25H24N4O4.CH5N/c1-33-20-11-9-19(10-12-20)29-24-21(22(16-30)26-29)13-15-28(25(24)32)18-7-5-17(6-8-18)27-14-3-2-4-23(27)31;1-2/h5-12,16H,2-4,13-15H2,1H3;2H2,1H3
• InChIKey: YICIEXOPDDPPAB-UHFFFAOYSA-N
• XLogP: 2.99
• TPSA: 110.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.55
LogP ≤ 5	2.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methanamine;1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[3,4-c]pyridine-3-carbaldehyde?

The IUPAC name of methanamine;1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[3,4-c]pyridine-3-carbaldehyde (CID 166529379) is methanamine;1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[3,4-c]pyridine-3-carbaldehyde.

What is the SMILES notation for methanamine;1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[3,4-c]pyridine-3-carbaldehyde?

The canonical SMILES for methanamine;1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[3,4-c]pyridine-3-carbaldehyde is CN.COc1ccc(-n2nc(C=O)c3c2C(=O)N(c2ccc(N4CCCCC4=O)cc2)CC3)cc1.

What is the InChIKey of methanamine;1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[3,4-c]pyridine-3-carbaldehyde?

The InChIKey is YICIEXOPDDPPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O4.CH5N/c1-33-20-11-9-19(10-12-20)29-24-21(22(16-30)26-29)13-15-28(25(24)32)18-7-5-17(6-8-18)27-14-3-2-4-23(27)31;1-2/h5-12,16H,2-4,13-15H2,1H3;2H2,1H3.

What are the key properties of methanamine;1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[3,4-c]pyridine-3-carbaldehyde?

methanamine;1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[3,4-c]pyridine-3-carbaldehyde has a molecular weight of 475.55 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for methanamine;1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[3,4-c]pyridine-3-carbaldehyde is sourced from PubChem (CID 166529379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).