(3R)-3-deuterio-3-[7-[[2-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3S)-3-deuterio-3-[7-[[2-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-deuterio-3-[7-[[2-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3S)-3-[7-[[2-fluoro-5-(3-morpholin-4-ylpropoxy)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-fluoro-5-(3-morpholin-4-ylpropoxy)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C132H149F5N20O25 — CID 157374256

About (3R)-3-deuterio-3-[7-[[2-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3S)-3-deuterio-3-[7-[[2-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-deuterio-3-[7-[[2-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3S)-3-[7-[[2-fluoro-5-(3-morpholin-4-ylpropoxy)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-fluoro-5-(3-morpholin-4-ylpropoxy)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

(3R)-3-deuterio-3-[7-[[2-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3S)-3-deuterio-3-[7-[[2-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-deuterio-3-[7-[[2-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3S)-3-[7-[[2-fluoro-5-(3-morpholin-4-ylpropoxy)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-fluoro-5-(3-morpholin-4-ylpropoxy)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 157374256) has the molecular formula C132H149F5N20O25 and a molecular weight of 2513.77 g/mol. Its IUPAC name is (3R)-3-deuterio-3-[7-[[2-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3S)-3-deuterio-3-[7-[[2-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-deuterio-3-[7-[[2-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3S)-3-[7-[[2-fluoro-5-(3-morpholin-4-ylpropoxy)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-fluoro-5-(3-morpholin-4-ylpropoxy)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: (3R)-3-deuterio-3-[7-[[2-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3S)-3-deuterio-3-[7-[[2-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-deuterio-3-[7-[[2-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3S)-3-[7-[[2-fluoro-5-(3-morpholin-4-ylpropoxy)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-fluoro-5-(3-morpholin-4-ylpropoxy)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• PubChem CID: 157374256
• Molecular Formula: C132H149F5N20O25
• Molecular Weight: 2513.77 g/mol
• Exact Mass: 2512.11
• IUPAC Name: (3R)-3-deuterio-3-[7-[[2-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3S)-3-deuterio-3-[7-[[2-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-deuterio-3-[7-[[2-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3S)-3-[7-[[2-fluoro-5-(3-morpholin-4-ylpropoxy)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-fluoro-5-(3-morpholin-4-ylpropoxy)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• SMILES: O=C1CCC(N2Cc3c(NCc4cc(OCCCN5CCOCC5)ccc4F)cccc3C2=O)C(=O)N1.O=C1CC[C@H](N2Cc3c(NCc4cc(OCCCN5CCOCC5)ccc4F)cccc3C2=O)C(=O)N1.[2H]C1(N2Cc3c(NCc4cc(OCCN5CCOCC5)ccc4F)cccc3C2=O)CCC(=O)NC1=O.[2H][C@@]1(N2Cc3c(NCc4cc(OCCN5CCOCC5)ccc4F)cccc3C2=O)CCC(=O)NC1=O.[2H][C@]1(N2Cc3c(NCc4cc(OCCN5CCOCC5)ccc4F)cccc3C2=O)CCC(=O)NC1=O
• InChI: InChI=1S/2C27H31FN4O5.3C26H29FN4O5/c2*28-22-6-5-19(37-12-2-9-31-10-13-36-14-11-31)15-18(22)16-29-23-4-1-3-20-21(23)17-32(27(20)35)24-7-8-25(33)30-26(24)34;3*27-21-5-4-18(36-13-10-30-8-11-35-12-9-30)14-17(21)15-28-22-3-1-2-19-20(22)16-31(26(19)34)23-6-7-24(32)29-25(23)33/h2*1,3-6,15,24,29H,2,7-14,16-17H2,(H,30,33,34);3*1-5,14,23,28H,6-13,15-16H2,(H,29,32,33)/t24-;;2*23-;/m0.10./s1/i;;3*23D
• InChIKey: BKDCMMXWYQVBCZ-FGJMFYPJSA-N
• XLogP: 10.33
• TPSA: 501.05 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 35
• Rotatable Bonds: 42
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2513.77
LogP ≤ 5	10.33
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	35

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 (3R)-3-deuterio-3-[7-[[2-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3S)-3-deuterio-3-[7-[[2-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-deuterio-3-[7-[[2-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3S)-3-[7-[[2-fluoro-5-(3-morpholin-4-ylpropoxy)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-fluoro-5-(3-morpholin-4-ylpropoxy)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The IUPAC name of (3R)-3-deuterio-3-[7-[[2-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3S)-3-deuterio-3-[7-[[2-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-deuterio-3-[7-[[2-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3S)-3-[7-[[2-fluoro-5-(3-morpholin-4-ylpropoxy)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-fluoro-5-(3-morpholin-4-ylpropoxy)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 157374256) is (3R)-3-deuterio-3-[7-[[2-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3S)-3-deuterio-3-[7-[[2-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-deuterio-3-[7-[[2-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3S)-3-[7-[[2-fluoro-5-(3-morpholin-4-ylpropoxy)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-fluoro-5-(3-morpholin-4-ylpropoxy)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

What is the SMILES notation for (3R)-3-deuterio-3-[7-[[2-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3S)-3-deuterio-3-[7-[[2-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-deuterio-3-[7-[[2-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3S)-3-[7-[[2-fluoro-5-(3-morpholin-4-ylpropoxy)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-fluoro-5-(3-morpholin-4-ylpropoxy)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The canonical SMILES for (3R)-3-deuterio-3-[7-[[2-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3S)-3-deuterio-3-[7-[[2-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-deuterio-3-[7-[[2-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3S)-3-[7-[[2-fluoro-5-(3-morpholin-4-ylpropoxy)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-fluoro-5-(3-morpholin-4-ylpropoxy)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is O=C1CCC(N2Cc3c(NCc4cc(OCCCN5CCOCC5)ccc4F)cccc3C2=O)C(=O)N1.O=C1CC[C@H](N2Cc3c(NCc4cc(OCCCN5CCOCC5)ccc4F)cccc3C2=O)C(=O)N1.[2H]C1(N2Cc3c(NCc4cc(OCCN5CCOCC5)ccc4F)cccc3C2=O)CCC(=O)NC1=O.[2H][C@@]1(N2Cc3c(NCc4cc(OCCN5CCOCC5)ccc4F)cccc3C2=O)CCC(=O)NC1=O.[2H][C@]1(N2Cc3c(NCc4cc(OCCN5CCOCC5)ccc4F)cccc3C2=O)CCC(=O)NC1=O.

What is the InChIKey of (3R)-3-deuterio-3-[7-[[2-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3S)-3-deuterio-3-[7-[[2-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-deuterio-3-[7-[[2-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3S)-3-[7-[[2-fluoro-5-(3-morpholin-4-ylpropoxy)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-fluoro-5-(3-morpholin-4-ylpropoxy)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The InChIKey is BKDCMMXWYQVBCZ-FGJMFYPJSA-N. The full InChI is InChI=1S/2C27H31FN4O5.3C26H29FN4O5/c2*28-22-6-5-19(37-12-2-9-31-10-13-36-14-11-31)15-18(22)16-29-23-4-1-3-20-21(23)17-32(27(20)35)24-7-8-25(33)30-26(24)34;3*27-21-5-4-18(36-13-10-30-8-11-35-12-9-30)14-17(21)15-28-22-3-1-2-19-20(22)16-31(26(19)34)23-6-7-24(32)29-25(23)33/h2*1,3-6,15,24,29H,2,7-14,16-17H2,(H,30,33,34);3*1-5,14,23,28H,6-13,15-16H2,(H,29,32,33)/t24-;;2*23-;/m0.10./s1/i;;3*23D.

What are the key properties of (3R)-3-deuterio-3-[7-[[2-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3S)-3-deuterio-3-[7-[[2-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-deuterio-3-[7-[[2-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3S)-3-[7-[[2-fluoro-5-(3-morpholin-4-ylpropoxy)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-fluoro-5-(3-morpholin-4-ylpropoxy)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

(3R)-3-deuterio-3-[7-[[2-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3S)-3-deuterio-3-[7-[[2-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-deuterio-3-[7-[[2-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3S)-3-[7-[[2-fluoro-5-(3-morpholin-4-ylpropoxy)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-fluoro-5-(3-morpholin-4-ylpropoxy)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 2513.77 g/mol, XLogP of 10.33, 42 rotatable bonds, 10 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3-deuterio-3-[7-[[2-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3S)-3-deuterio-3-[7-[[2-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-deuterio-3-[7-[[2-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3S)-3-[7-[[2-fluoro-5-(3-morpholin-4-ylpropoxy)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-fluoro-5-(3-morpholin-4-ylpropoxy)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 157374256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).