2-[2-[(7R)-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-5-yl]ethyl]isoindole-1,3-dione

C26H24N4O2 — CID 22857563

IUPAC2-[2-[(7R)-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-5-yl]ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCN1CCN2c3ncccc3Cc3ccccc3[C@@H]2C1
InChIInChI=1S/C26H24N4O2/c31-25-21-9-3-4-10-22(21)26(32)30(25)15-13-28-12-14-29-23(17-28)20-8-2-1-6-18(20)16-19-7-5-11-27-24(19)29/h1-11,23H,12-17H2/t23-/m0/s1
InChIKeyUUFXOEDYDYXSIG-QHCPKHFHSA-N
MW424.50 g/mol
LogP3.15
Rot. Bonds3

About 2-[2-[(7R)-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-5-yl]ethyl]isoindole-1,3-dione

2-[2-[(7R)-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-5-yl]ethyl]isoindole-1,3-dione (PubChem CID 22857563) has the molecular formula C26H24N4O2 and a molecular weight of 424.50 g/mol. Its IUPAC name is 2-[2-[(7R)-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-5-yl]ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-[(7R)-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-5-yl]ethyl]isoindole-1,3-dione
PubChem CID22857563
Molecular FormulaC26H24N4O2
Molecular Weight424.50 g/mol
Exact Mass424.19
IUPAC Name2-[2-[(7R)-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-5-yl]ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCN1CCN2c3ncccc3Cc3ccccc3[C@@H]2C1
InChIInChI=1S/C26H24N4O2/c31-25-21-9-3-4-10-22(21)26(32)30(25)15-13-28-12-14-29-23(17-28)20-8-2-1-6-18(20)16-19-7-5-11-27-24(19)29/h1-11,23H,12-17H2/t23-/m0/s1
InChIKeyUUFXOEDYDYXSIG-QHCPKHFHSA-N
XLogP3.15
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[2-[(7R)-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-5-yl]ethyl]isoindole-1,3-dione with MolForge

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Related Compounds

methanesulfonic acid;5-methyl-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene
CID 11639107
2-[2-[4-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperazin-1-yl]ethyl]isoindole-1,3-dione
CID 10548389
2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene
CID 10467350
(7S)-5-methyl-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-14-one
CID 25156465
(7R)-5-(2-chloroethyl)-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaene
CID 57197565
2-[2-(1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl)ethyl]isoindole-1,3-dione
CID 139703019
2-[2-(3-aminopyrrolidin-1-yl)ethyl]isoindole-1,3-dione;hydrochloride
CID 119917686
2-[2-(3-hydroxypyrrolidin-1-yl)ethyl]isoindole-1,3-dione
CID 62918343
2-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]isoindole-1,3-dione
CID 78963607
2-[4-(4-pyrimidin-2-ylpiperidin-1-yl)butyl]isoindole-1,3-dione
CID 20718041
2-(6-oxo-1,3,4,10b-tetrahydropyrazino[2,1-a]isoindol-2-yl)acetic acid
CID 12901798
3,3,4,4-tetradeuterio-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene
CID 45359026

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(7R)-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-5-yl]ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-[(7R)-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-5-yl]ethyl]isoindole-1,3-dione (CID 22857563) is 2-[2-[(7R)-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-5-yl]ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-[(7R)-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-5-yl]ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-[(7R)-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-5-yl]ethyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCN1CCN2c3ncccc3Cc3ccccc3[C@@H]2C1.
What is the InChIKey of 2-[2-[(7R)-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-5-yl]ethyl]isoindole-1,3-dione?
The InChIKey is UUFXOEDYDYXSIG-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H24N4O2/c31-25-21-9-3-4-10-22(21)26(32)30(25)15-13-28-12-14-29-23(17-28)20-8-2-1-6-18(20)16-19-7-5-11-27-24(19)29/h1-11,23H,12-17H2/t23-/m0/s1.
What are the key properties of 2-[2-[(7R)-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-5-yl]ethyl]isoindole-1,3-dione?
2-[2-[(7R)-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-5-yl]ethyl]isoindole-1,3-dione has a molecular weight of 424.50 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(7R)-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-5-yl]ethyl]isoindole-1,3-dione is sourced from PubChem (CID 22857563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).