4-[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-N-[7-[4-[4-[(2,4-dioxocyclohexyl)amino]phenyl]piperidin-1-yl]-6-oxoheptyl]butanamide

C43H54N6O7 — CID 164991300

About 4-[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-N-[7-[4-[4-[(2,4-dioxocyclohexyl)amino]phenyl]piperidin-1-yl]-6-oxoheptyl]butanamide

4-[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-N-[7-[4-[4-[(2,4-dioxocyclohexyl)amino]phenyl]piperidin-1-yl]-6-oxoheptyl]butanamide (PubChem CID 164991300) has the molecular formula C43H54N6O7 and a molecular weight of 766.94 g/mol. Its IUPAC name is 4-[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-N-[7-[4-[4-[(2,4-dioxocyclohexyl)amino]phenyl]piperidin-1-yl]-6-oxoheptyl]butanamide.

Molecular Properties

• Compound Name: 4-[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-N-[7-[4-[4-[(2,4-dioxocyclohexyl)amino]phenyl]piperidin-1-yl]-6-oxoheptyl]butanamide
• PubChem CID: 164991300
• Molecular Formula: C43H54N6O7
• Molecular Weight: 766.94 g/mol
• Exact Mass: 766.41
• IUPAC Name: 4-[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-N-[7-[4-[4-[(2,4-dioxocyclohexyl)amino]phenyl]piperidin-1-yl]-6-oxoheptyl]butanamide
• SMILES: COc1cc(-c2cn(C)c(=O)c3[nH]ncc23)cc(OC)c1CCCC(=O)NCCCCCC(=O)CN1CCC(c2ccc(NC3CCC(=O)CC3=O)cc2)CC1
• InChI: InChI=1S/C43H54N6O7/c1-48-27-36(35-25-45-47-42(35)43(48)54)30-22-39(55-2)34(40(23-30)56-3)9-7-10-41(53)44-19-6-4-5-8-33(51)26-49-20-17-29(18-21-49)28-11-13-31(14-12-28)46-37-16-15-32(50)24-38(37)52/h11-14,22-23,25,27,29,37,46H,4-10,15-21,24,26H2,1-3H3,(H,44,53)(H,45,47)
• InChIKey: MIQLHCJSDZKFRW-UHFFFAOYSA-N
• XLogP: 5.50
• TPSA: 164.72 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 18
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	766.94
LogP ≤ 5	5.50
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-N-[7-[4-[4-[(2,4-dioxocyclohexyl)amino]phenyl]piperidin-1-yl]-6-oxoheptyl]butanamide?

The IUPAC name of 4-[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-N-[7-[4-[4-[(2,4-dioxocyclohexyl)amino]phenyl]piperidin-1-yl]-6-oxoheptyl]butanamide (CID 164991300) is 4-[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-N-[7-[4-[4-[(2,4-dioxocyclohexyl)amino]phenyl]piperidin-1-yl]-6-oxoheptyl]butanamide.

What is the SMILES notation for 4-[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-N-[7-[4-[4-[(2,4-dioxocyclohexyl)amino]phenyl]piperidin-1-yl]-6-oxoheptyl]butanamide?

The canonical SMILES for 4-[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-N-[7-[4-[4-[(2,4-dioxocyclohexyl)amino]phenyl]piperidin-1-yl]-6-oxoheptyl]butanamide is COc1cc(-c2cn(C)c(=O)c3[nH]ncc23)cc(OC)c1CCCC(=O)NCCCCCC(=O)CN1CCC(c2ccc(NC3CCC(=O)CC3=O)cc2)CC1.

What is the InChIKey of 4-[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-N-[7-[4-[4-[(2,4-dioxocyclohexyl)amino]phenyl]piperidin-1-yl]-6-oxoheptyl]butanamide?

The InChIKey is MIQLHCJSDZKFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H54N6O7/c1-48-27-36(35-25-45-47-42(35)43(48)54)30-22-39(55-2)34(40(23-30)56-3)9-7-10-41(53)44-19-6-4-5-8-33(51)26-49-20-17-29(18-21-49)28-11-13-31(14-12-28)46-37-16-15-32(50)24-38(37)52/h11-14,22-23,25,27,29,37,46H,4-10,15-21,24,26H2,1-3H3,(H,44,53)(H,45,47).

What are the key properties of 4-[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-N-[7-[4-[4-[(2,4-dioxocyclohexyl)amino]phenyl]piperidin-1-yl]-6-oxoheptyl]butanamide?

4-[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-N-[7-[4-[4-[(2,4-dioxocyclohexyl)amino]phenyl]piperidin-1-yl]-6-oxoheptyl]butanamide has a molecular weight of 766.94 g/mol, XLogP of 5.50, 18 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-N-[7-[4-[4-[(2,4-dioxocyclohexyl)amino]phenyl]piperidin-1-yl]-6-oxoheptyl]butanamide is sourced from PubChem (CID 164991300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).