2-[(Z)-1-amino-2-(7-amino-2-methyl-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-6-yl)ethenyl]phenol;5-[2-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-2-methylmorpholin-4-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

C40H51N9O6 — CID 163294319

About 2-[(Z)-1-amino-2-(7-amino-2-methyl-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-6-yl)ethenyl]phenol;5-[2-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-2-methylmorpholin-4-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

2-[(Z)-1-amino-2-(7-amino-2-methyl-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-6-yl)ethenyl]phenol;5-[2-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-2-methylmorpholin-4-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 163294319) has the molecular formula C40H51N9O6 and a molecular weight of 753.90 g/mol. Its IUPAC name is 2-[(Z)-1-amino-2-(7-amino-2-methyl-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-6-yl)ethenyl]phenol;5-[2-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-2-methylmorpholin-4-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-[(Z)-1-amino-2-(7-amino-2-methyl-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-6-yl)ethenyl]phenol;5-[2-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-2-methylmorpholin-4-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
• PubChem CID: 163294319
• Molecular Formula: C40H51N9O6
• Molecular Weight: 753.90 g/mol
• Exact Mass: 753.40
• IUPAC Name: 2-[(Z)-1-amino-2-(7-amino-2-methyl-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-6-yl)ethenyl]phenol;5-[2-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-2-methylmorpholin-4-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
• SMILES: CC1(CN2CC3CC3C2)CN(c2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)CCO1.CN1CCN2C(/C=C(\N)c3ccccc3O)=C(N)NCC2C1
• InChI: InChI=1S/C24H28N4O5.C16H23N5O/c1-24(12-26-10-14-8-15(14)11-26)13-27(6-7-33-24)16-2-3-17-18(9-16)23(32)28(22(17)31)19-4-5-20(29)25-21(19)30;1-20-6-7-21-11(10-20)9-19-16(18)14(21)8-13(17)12-4-2-3-5-15(12)22/h2-3,9,14-15,19H,4-8,10-13H2,1H3,(H,25,29,30);2-5,8,11,19,22H,6-7,9-10,17-18H2,1H3/b;13-8-
• InChIKey: FTONFIYZSYNNBH-DMVMBULXSA-N
• XLogP: 0.67
• TPSA: 190.04 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 13
• Rotatable Bonds: 6
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	753.90
LogP ≤ 5	0.67
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-1-amino-2-(7-amino-2-methyl-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-6-yl)ethenyl]phenol;5-[2-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-2-methylmorpholin-4-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The IUPAC name of 2-[(Z)-1-amino-2-(7-amino-2-methyl-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-6-yl)ethenyl]phenol;5-[2-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-2-methylmorpholin-4-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 163294319) is 2-[(Z)-1-amino-2-(7-amino-2-methyl-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-6-yl)ethenyl]phenol;5-[2-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-2-methylmorpholin-4-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

What is the SMILES notation for 2-[(Z)-1-amino-2-(7-amino-2-methyl-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-6-yl)ethenyl]phenol;5-[2-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-2-methylmorpholin-4-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The canonical SMILES for 2-[(Z)-1-amino-2-(7-amino-2-methyl-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-6-yl)ethenyl]phenol;5-[2-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-2-methylmorpholin-4-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is CC1(CN2CC3CC3C2)CN(c2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)CCO1.CN1CCN2C(/C=C(\N)c3ccccc3O)=C(N)NCC2C1.

What is the InChIKey of 2-[(Z)-1-amino-2-(7-amino-2-methyl-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-6-yl)ethenyl]phenol;5-[2-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-2-methylmorpholin-4-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The InChIKey is FTONFIYZSYNNBH-DMVMBULXSA-N. The full InChI is InChI=1S/C24H28N4O5.C16H23N5O/c1-24(12-26-10-14-8-15(14)11-26)13-27(6-7-33-24)16-2-3-17-18(9-16)23(32)28(22(17)31)19-4-5-20(29)25-21(19)30;1-20-6-7-21-11(10-20)9-19-16(18)14(21)8-13(17)12-4-2-3-5-15(12)22/h2-3,9,14-15,19H,4-8,10-13H2,1H3,(H,25,29,30);2-5,8,11,19,22H,6-7,9-10,17-18H2,1H3/b;13-8-.

What are the key properties of 2-[(Z)-1-amino-2-(7-amino-2-methyl-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-6-yl)ethenyl]phenol;5-[2-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-2-methylmorpholin-4-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

2-[(Z)-1-amino-2-(7-amino-2-methyl-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-6-yl)ethenyl]phenol;5-[2-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-2-methylmorpholin-4-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 753.90 g/mol, XLogP of 0.67, 6 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(Z)-1-amino-2-(7-amino-2-methyl-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-6-yl)ethenyl]phenol;5-[2-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-2-methylmorpholin-4-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 163294319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).