2-[[4-(1,6-dimethyl-7-oxopyrazolo[5,4-c]pyridin-4-yl)-2,6-dimethoxyphenyl]methoxy]-N-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propyl]acetamide

C35H37N7O9 — CID 162069952

About 2-[[4-(1,6-dimethyl-7-oxopyrazolo[5,4-c]pyridin-4-yl)-2,6-dimethoxyphenyl]methoxy]-N-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propyl]acetamide

2-[[4-(1,6-dimethyl-7-oxopyrazolo[5,4-c]pyridin-4-yl)-2,6-dimethoxyphenyl]methoxy]-N-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propyl]acetamide (PubChem CID 162069952) has the molecular formula C35H37N7O9 and a molecular weight of 699.72 g/mol. Its IUPAC name is 2-[[4-(1,6-dimethyl-7-oxopyrazolo[5,4-c]pyridin-4-yl)-2,6-dimethoxyphenyl]methoxy]-N-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propyl]acetamide.

Molecular Properties

• Compound Name: 2-[[4-(1,6-dimethyl-7-oxopyrazolo[5,4-c]pyridin-4-yl)-2,6-dimethoxyphenyl]methoxy]-N-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propyl]acetamide
• PubChem CID: 162069952
• Molecular Formula: C35H37N7O9
• Molecular Weight: 699.72 g/mol
• Exact Mass: 699.27
• IUPAC Name: 2-[[4-(1,6-dimethyl-7-oxopyrazolo[5,4-c]pyridin-4-yl)-2,6-dimethoxyphenyl]methoxy]-N-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propyl]acetamide
• SMILES: COc1cc(-c2cn(C)c(=O)c3c2cnn3C)cc(OC)c1COCC(=O)NCCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
• InChI: InChI=1S/C35H37N7O9/c1-40-16-22(21-15-38-41(2)31(21)35(40)48)19-13-26(49-3)23(27(14-19)50-4)17-51-18-29(44)37-12-6-11-36-24-8-5-7-20-30(24)34(47)42(33(20)46)25-9-10-28(43)39-32(25)45/h5,7-8,13-16,25,36H,6,9-12,17-18H2,1-4H3,(H,37,44)(H,39,43,45)
• InChIKey: NIOYIGORYOADQO-UHFFFAOYSA-N
• XLogP: 1.49
• TPSA: 192.19 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 13
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	699.72
LogP ≤ 5	1.49
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(1,6-dimethyl-7-oxopyrazolo[5,4-c]pyridin-4-yl)-2,6-dimethoxyphenyl]methoxy]-N-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propyl]acetamide?

The IUPAC name of 2-[[4-(1,6-dimethyl-7-oxopyrazolo[5,4-c]pyridin-4-yl)-2,6-dimethoxyphenyl]methoxy]-N-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propyl]acetamide (CID 162069952) is 2-[[4-(1,6-dimethyl-7-oxopyrazolo[5,4-c]pyridin-4-yl)-2,6-dimethoxyphenyl]methoxy]-N-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propyl]acetamide.

What is the SMILES notation for 2-[[4-(1,6-dimethyl-7-oxopyrazolo[5,4-c]pyridin-4-yl)-2,6-dimethoxyphenyl]methoxy]-N-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propyl]acetamide?

The canonical SMILES for 2-[[4-(1,6-dimethyl-7-oxopyrazolo[5,4-c]pyridin-4-yl)-2,6-dimethoxyphenyl]methoxy]-N-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propyl]acetamide is COc1cc(-c2cn(C)c(=O)c3c2cnn3C)cc(OC)c1COCC(=O)NCCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.

What is the InChIKey of 2-[[4-(1,6-dimethyl-7-oxopyrazolo[5,4-c]pyridin-4-yl)-2,6-dimethoxyphenyl]methoxy]-N-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propyl]acetamide?

The InChIKey is NIOYIGORYOADQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H37N7O9/c1-40-16-22(21-15-38-41(2)31(21)35(40)48)19-13-26(49-3)23(27(14-19)50-4)17-51-18-29(44)37-12-6-11-36-24-8-5-7-20-30(24)34(47)42(33(20)46)25-9-10-28(43)39-32(25)45/h5,7-8,13-16,25,36H,6,9-12,17-18H2,1-4H3,(H,37,44)(H,39,43,45).

What are the key properties of 2-[[4-(1,6-dimethyl-7-oxopyrazolo[5,4-c]pyridin-4-yl)-2,6-dimethoxyphenyl]methoxy]-N-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propyl]acetamide?

2-[[4-(1,6-dimethyl-7-oxopyrazolo[5,4-c]pyridin-4-yl)-2,6-dimethoxyphenyl]methoxy]-N-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propyl]acetamide has a molecular weight of 699.72 g/mol, XLogP of 1.49, 13 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-(1,6-dimethyl-7-oxopyrazolo[5,4-c]pyridin-4-yl)-2,6-dimethoxyphenyl]methoxy]-N-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propyl]acetamide is sourced from PubChem (CID 162069952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).