3-[4-[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]pyrazol-1-yl]piperidine-2,6-dione

C31H34N6O5 — CID 154672565

About 3-[4-[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]pyrazol-1-yl]piperidine-2,6-dione

3-[4-[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]pyrazol-1-yl]piperidine-2,6-dione (PubChem CID 154672565) has the molecular formula C31H34N6O5 and a molecular weight of 570.65 g/mol. Its IUPAC name is 3-[4-[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]pyrazol-1-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[4-[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]pyrazol-1-yl]piperidine-2,6-dione
• PubChem CID: 154672565
• Molecular Formula: C31H34N6O5
• Molecular Weight: 570.65 g/mol
• Exact Mass: 570.26
• IUPAC Name: 3-[4-[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]pyrazol-1-yl]piperidine-2,6-dione
• SMILES: COc1cc(-c2cn(C)c(=O)c3cnccc23)cc(OC)c1CN1CCC(c2cnn(C3CCC(=O)NC3=O)c2)CC1
• InChI: InChI=1S/C31H34N6O5/c1-35-17-24(22-6-9-32-15-23(22)31(35)40)20-12-27(41-2)25(28(13-20)42-3)18-36-10-7-19(8-11-36)21-14-33-37(16-21)26-4-5-29(38)34-30(26)39/h6,9,12-17,19,26H,4-5,7-8,10-11,18H2,1-3H3,(H,34,38,39)
• InChIKey: OZVYJBJXLSWCQC-UHFFFAOYSA-N
• XLogP: 3.17
• TPSA: 120.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	570.65
LogP ≤ 5	3.17
H-Bond Donors ≤ 5	1
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-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]pyrazol-1-yl]piperidine-2,6-dione?

The IUPAC name of 3-[4-[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]pyrazol-1-yl]piperidine-2,6-dione (CID 154672565) is 3-[4-[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]pyrazol-1-yl]piperidine-2,6-dione.

What is the SMILES notation for 3-[4-[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]pyrazol-1-yl]piperidine-2,6-dione?

The canonical SMILES for 3-[4-[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]pyrazol-1-yl]piperidine-2,6-dione is COc1cc(-c2cn(C)c(=O)c3cnccc23)cc(OC)c1CN1CCC(c2cnn(C3CCC(=O)NC3=O)c2)CC1.

What is the InChIKey of 3-[4-[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]pyrazol-1-yl]piperidine-2,6-dione?

The InChIKey is OZVYJBJXLSWCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N6O5/c1-35-17-24(22-6-9-32-15-23(22)31(35)40)20-12-27(41-2)25(28(13-20)42-3)18-36-10-7-19(8-11-36)21-14-33-37(16-21)26-4-5-29(38)34-30(26)39/h6,9,12-17,19,26H,4-5,7-8,10-11,18H2,1-3H3,(H,34,38,39).

What are the key properties of 3-[4-[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]pyrazol-1-yl]piperidine-2,6-dione?

3-[4-[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]pyrazol-1-yl]piperidine-2,6-dione has a molecular weight of 570.65 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]pyrazol-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 154672565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).