3-[4-[1-[2-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methylamino]acetyl]piperidin-4-yl]-3-fluoroanilino]piperidine-2,6-dione

C34H38FN7O6 — CID 166730117

About 3-[4-[1-[2-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methylamino]acetyl]piperidin-4-yl]-3-fluoroanilino]piperidine-2,6-dione

3-[4-[1-[2-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methylamino]acetyl]piperidin-4-yl]-3-fluoroanilino]piperidine-2,6-dione (PubChem CID 166730117) has the molecular formula C34H38FN7O6 and a molecular weight of 659.72 g/mol. Its IUPAC name is 3-[4-[1-[2-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methylamino]acetyl]piperidin-4-yl]-3-fluoroanilino]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[4-[1-[2-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methylamino]acetyl]piperidin-4-yl]-3-fluoroanilino]piperidine-2,6-dione
• PubChem CID: 166730117
• Molecular Formula: C34H38FN7O6
• Molecular Weight: 659.72 g/mol
• Exact Mass: 659.29
• IUPAC Name: 3-[4-[1-[2-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methylamino]acetyl]piperidin-4-yl]-3-fluoroanilino]piperidine-2,6-dione
• SMILES: COc1cc(-c2cn(C)c(=O)c3[nH]ncc23)cc(OC)c1CNCC(=O)N1CCC(c2ccc(NC3CCC(=O)NC3=O)cc2F)CC1
• InChI: InChI=1S/C34H38FN7O6/c1-41-18-25(23-16-37-40-32(23)34(41)46)20-12-28(47-2)24(29(13-20)48-3)15-36-17-31(44)42-10-8-19(9-11-42)22-5-4-21(14-26(22)35)38-27-6-7-30(43)39-33(27)45/h4-5,12-14,16,18-19,27,36,38H,6-11,15,17H2,1-3H3,(H,37,40)(H,39,43,45)
• InChIKey: PWLZFHUKLNSEHQ-UHFFFAOYSA-N
• XLogP: 2.80
• TPSA: 159.68 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	659.72
LogP ≤ 5	2.80
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[4-[1-[2-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methylamino]acetyl]piperidin-4-yl]-3-fluoroanilino]piperidine-2,6-dione?

The IUPAC name of 3-[4-[1-[2-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methylamino]acetyl]piperidin-4-yl]-3-fluoroanilino]piperidine-2,6-dione (CID 166730117) is 3-[4-[1-[2-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methylamino]acetyl]piperidin-4-yl]-3-fluoroanilino]piperidine-2,6-dione.

What is the SMILES notation for 3-[4-[1-[2-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methylamino]acetyl]piperidin-4-yl]-3-fluoroanilino]piperidine-2,6-dione?

The canonical SMILES for 3-[4-[1-[2-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methylamino]acetyl]piperidin-4-yl]-3-fluoroanilino]piperidine-2,6-dione is COc1cc(-c2cn(C)c(=O)c3[nH]ncc23)cc(OC)c1CNCC(=O)N1CCC(c2ccc(NC3CCC(=O)NC3=O)cc2F)CC1.

What is the InChIKey of 3-[4-[1-[2-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methylamino]acetyl]piperidin-4-yl]-3-fluoroanilino]piperidine-2,6-dione?

The InChIKey is PWLZFHUKLNSEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38FN7O6/c1-41-18-25(23-16-37-40-32(23)34(41)46)20-12-28(47-2)24(29(13-20)48-3)15-36-17-31(44)42-10-8-19(9-11-42)22-5-4-21(14-26(22)35)38-27-6-7-30(43)39-33(27)45/h4-5,12-14,16,18-19,27,36,38H,6-11,15,17H2,1-3H3,(H,37,40)(H,39,43,45).

What are the key properties of 3-[4-[1-[2-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methylamino]acetyl]piperidin-4-yl]-3-fluoroanilino]piperidine-2,6-dione?

3-[4-[1-[2-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methylamino]acetyl]piperidin-4-yl]-3-fluoroanilino]piperidine-2,6-dione has a molecular weight of 659.72 g/mol, XLogP of 2.80, 10 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[1-[2-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methylamino]acetyl]piperidin-4-yl]-3-fluoroanilino]piperidine-2,6-dione is sourced from PubChem (CID 166730117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).