N'-[8-amino-6-(5-amino-4-methyl-3-pyridinyl)-7-fluoroisoquinolin-3-yl]-N-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl]pentanediamide

C37H38FN9O7 — CID 155281246

About N'-[8-amino-6-(5-amino-4-methyl-3-pyridinyl)-7-fluoroisoquinolin-3-yl]-N-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl]pentanediamide

N'-[8-amino-6-(5-amino-4-methyl-3-pyridinyl)-7-fluoroisoquinolin-3-yl]-N-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl]pentanediamide (PubChem CID 155281246) has the molecular formula C37H38FN9O7 and a molecular weight of 739.77 g/mol. Its IUPAC name is N'-[8-amino-6-(5-amino-4-methyl-3-pyridinyl)-7-fluoroisoquinolin-3-yl]-N-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl]pentanediamide.

Molecular Properties

• Compound Name: N'-[8-amino-6-(5-amino-4-methyl-3-pyridinyl)-7-fluoroisoquinolin-3-yl]-N-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl]pentanediamide
• PubChem CID: 155281246
• Molecular Formula: C37H38FN9O7
• Molecular Weight: 739.77 g/mol
• Exact Mass: 739.29
• IUPAC Name: N'-[8-amino-6-(5-amino-4-methyl-3-pyridinyl)-7-fluoroisoquinolin-3-yl]-N-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl]pentanediamide
• SMILES: Cc1c(N)cncc1-c1cc2cc(NC(=O)CCCC(=O)NCCOCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)ncc2c(N)c1F
• InChI: InChI=1S/C37H38FN9O7/c1-19-23(16-41-18-25(19)39)22-14-20-15-28(44-17-24(20)34(40)33(22)38)45-30(49)7-3-6-29(48)43-11-13-54-12-10-42-26-5-2-4-21-32(26)37(53)47(36(21)52)27-8-9-31(50)46-35(27)51/h2,4-5,14-18,27,42H,3,6-13,39-40H2,1H3,(H,43,48)(H,44,45,49)(H,46,50,51)
• InChIKey: LPBZQCNODOEEJA-UHFFFAOYSA-N
• XLogP: 2.66
• TPSA: 240.83 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 12
• Rotatable Bonds: 14
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	739.77
LogP ≤ 5	2.66
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N'-[8-amino-6-(5-amino-4-methyl-3-pyridinyl)-7-fluoroisoquinolin-3-yl]-N-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl]pentanediamide?

The IUPAC name of N'-[8-amino-6-(5-amino-4-methyl-3-pyridinyl)-7-fluoroisoquinolin-3-yl]-N-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl]pentanediamide (CID 155281246) is N'-[8-amino-6-(5-amino-4-methyl-3-pyridinyl)-7-fluoroisoquinolin-3-yl]-N-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl]pentanediamide.

What is the SMILES notation for N'-[8-amino-6-(5-amino-4-methyl-3-pyridinyl)-7-fluoroisoquinolin-3-yl]-N-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl]pentanediamide?

The canonical SMILES for N'-[8-amino-6-(5-amino-4-methyl-3-pyridinyl)-7-fluoroisoquinolin-3-yl]-N-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl]pentanediamide is Cc1c(N)cncc1-c1cc2cc(NC(=O)CCCC(=O)NCCOCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)ncc2c(N)c1F.

What is the InChIKey of N'-[8-amino-6-(5-amino-4-methyl-3-pyridinyl)-7-fluoroisoquinolin-3-yl]-N-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl]pentanediamide?

The InChIKey is LPBZQCNODOEEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H38FN9O7/c1-19-23(16-41-18-25(19)39)22-14-20-15-28(44-17-24(20)34(40)33(22)38)45-30(49)7-3-6-29(48)43-11-13-54-12-10-42-26-5-2-4-21-32(26)37(53)47(36(21)52)27-8-9-31(50)46-35(27)51/h2,4-5,14-18,27,42H,3,6-13,39-40H2,1H3,(H,43,48)(H,44,45,49)(H,46,50,51).

What are the key properties of N'-[8-amino-6-(5-amino-4-methyl-3-pyridinyl)-7-fluoroisoquinolin-3-yl]-N-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl]pentanediamide?

N'-[8-amino-6-(5-amino-4-methyl-3-pyridinyl)-7-fluoroisoquinolin-3-yl]-N-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl]pentanediamide has a molecular weight of 739.77 g/mol, XLogP of 2.66, 14 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[8-amino-6-(5-amino-4-methyl-3-pyridinyl)-7-fluoroisoquinolin-3-yl]-N-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl]pentanediamide is sourced from PubChem (CID 155281246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).