[3-[6-[8-(2-hydroxyethoxy)-4-(pyrrolidin-1-ylmethyl)-1,5-naphthyridin-2-yl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl] formate

C29H29N5O7 — CID 169206107

About [3-[6-[8-(2-hydroxyethoxy)-4-(pyrrolidin-1-ylmethyl)-1,5-naphthyridin-2-yl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl] formate

[3-[6-[8-(2-hydroxyethoxy)-4-(pyrrolidin-1-ylmethyl)-1,5-naphthyridin-2-yl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl] formate (PubChem CID 169206107) has the molecular formula C29H29N5O7 and a molecular weight of 559.58 g/mol. Its IUPAC name is [3-[6-[8-(2-hydroxyethoxy)-4-(pyrrolidin-1-ylmethyl)-1,5-naphthyridin-2-yl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl] formate.

Molecular Properties

• Compound Name: [3-[6-[8-(2-hydroxyethoxy)-4-(pyrrolidin-1-ylmethyl)-1,5-naphthyridin-2-yl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl] formate
• PubChem CID: 169206107
• Molecular Formula: C29H29N5O7
• Molecular Weight: 559.58 g/mol
• Exact Mass: 559.21
• IUPAC Name: [3-[6-[8-(2-hydroxyethoxy)-4-(pyrrolidin-1-ylmethyl)-1,5-naphthyridin-2-yl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl] formate
• SMILES: O=CON1C(=O)CCC(N2Cc3cc(-c4cc(CN5CCCC5)c5nccc(OCCO)c5n4)ccc3C2=O)C1=O
• InChI: InChI=1S/C29H29N5O7/c35-11-12-40-24-7-8-30-26-20(15-32-9-1-2-10-32)14-22(31-27(24)26)18-3-4-21-19(13-18)16-33(28(21)38)23-5-6-25(37)34(29(23)39)41-17-36/h3-4,7-8,13-14,17,23,35H,1-2,5-6,9-12,15-16H2
• InChIKey: FTHCRDVTYOBDLP-UHFFFAOYSA-N
• XLogP: 1.83
• TPSA: 142.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	559.58
LogP ≤ 5	1.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [3-[6-[8-(2-hydroxyethoxy)-4-(pyrrolidin-1-ylmethyl)-1,5-naphthyridin-2-yl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl] formate?

The IUPAC name of [3-[6-[8-(2-hydroxyethoxy)-4-(pyrrolidin-1-ylmethyl)-1,5-naphthyridin-2-yl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl] formate (CID 169206107) is [3-[6-[8-(2-hydroxyethoxy)-4-(pyrrolidin-1-ylmethyl)-1,5-naphthyridin-2-yl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl] formate.

What is the SMILES notation for [3-[6-[8-(2-hydroxyethoxy)-4-(pyrrolidin-1-ylmethyl)-1,5-naphthyridin-2-yl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl] formate?

The canonical SMILES for [3-[6-[8-(2-hydroxyethoxy)-4-(pyrrolidin-1-ylmethyl)-1,5-naphthyridin-2-yl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl] formate is O=CON1C(=O)CCC(N2Cc3cc(-c4cc(CN5CCCC5)c5nccc(OCCO)c5n4)ccc3C2=O)C1=O.

What is the InChIKey of [3-[6-[8-(2-hydroxyethoxy)-4-(pyrrolidin-1-ylmethyl)-1,5-naphthyridin-2-yl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl] formate?

The InChIKey is FTHCRDVTYOBDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N5O7/c35-11-12-40-24-7-8-30-26-20(15-32-9-1-2-10-32)14-22(31-27(24)26)18-3-4-21-19(13-18)16-33(28(21)38)23-5-6-25(37)34(29(23)39)41-17-36/h3-4,7-8,13-14,17,23,35H,1-2,5-6,9-12,15-16H2.

What are the key properties of [3-[6-[8-(2-hydroxyethoxy)-4-(pyrrolidin-1-ylmethyl)-1,5-naphthyridin-2-yl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl] formate?

[3-[6-[8-(2-hydroxyethoxy)-4-(pyrrolidin-1-ylmethyl)-1,5-naphthyridin-2-yl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl] formate has a molecular weight of 559.58 g/mol, XLogP of 1.83, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[6-[8-(2-hydroxyethoxy)-4-(pyrrolidin-1-ylmethyl)-1,5-naphthyridin-2-yl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl] formate is sourced from PubChem (CID 169206107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).