5-[[7-(aminomethyl)-2-methyl-2,3-dihydroindol-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

C24H24N4O4 — CID 167722349

IUPAC5-[[7-(aminomethyl)-2-methyl-2,3-dihydroindol-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESCC1Cc2cccc(CN)c2N1Cc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C24H24N4O4/c1-13-9-15-3-2-4-16(11-25)21(15)27(13)12-14-5-6-17-18(10-14)24(32)28(23(17)31)19-7-8-20(29)26-22(19)30/h2-6,10,13,19H,7-9,11-12,25H2,1H3,(H,26,29,30)
InChIKeyWPQVFEXRYHNBMW-UHFFFAOYSA-N
MW432.48 g/mol
LogP1.50
Rot. Bonds4

About 5-[[7-(aminomethyl)-2-methyl-2,3-dihydroindol-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

5-[[7-(aminomethyl)-2-methyl-2,3-dihydroindol-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 167722349) has the molecular formula C24H24N4O4 and a molecular weight of 432.48 g/mol. Its IUPAC name is 5-[[7-(aminomethyl)-2-methyl-2,3-dihydroindol-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name5-[[7-(aminomethyl)-2-methyl-2,3-dihydroindol-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
PubChem CID167722349
Molecular FormulaC24H24N4O4
Molecular Weight432.48 g/mol
Exact Mass432.18
IUPAC Name5-[[7-(aminomethyl)-2-methyl-2,3-dihydroindol-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESCC1Cc2cccc(CN)c2N1Cc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C24H24N4O4/c1-13-9-15-3-2-4-16(11-25)21(15)27(13)12-14-5-6-17-18(10-14)24(32)28(23(17)31)19-7-8-20(29)26-22(19)30/h2-6,10,13,19H,7-9,11-12,25H2,1H3,(H,26,29,30)
InChIKeyWPQVFEXRYHNBMW-UHFFFAOYSA-N
XLogP1.50
TPSA112.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[5-[[7-(aminomethyl)-2-methyl-2,3-dihydroindol-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167737294
5-[[2-(aminomethyl)-5-methylpiperidin-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167728351
2-(2,6-dioxopiperidin-3-yl)-5-[(4-methylpiperazin-1-yl)methyl]isoindole-1,3-dione
CID 168872542
5-[(3-aminoazetidin-1-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167733813
5-[[4-(1-amino-2-methylpropan-2-yl)piperidin-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167741570
2-(2,6-dioxopiperidin-3-yl)-5-[(7-methyl-1,4-diazepan-1-yl)methyl]isoindole-1,3-dione
CID 167716655
5-[(2,3-dihydro-1H-isoindol-4-ylmethylamino)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167731075
5-[[2,3-dihydro-1H-isoindol-4-ylmethyl(methyl)amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167715437
5-(4-aminobutyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 163540718
5-[[[1-(aminomethyl)cyclopropyl]methyl-methylamino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167739389
5-[[(3S,5S)-3-amino-5-methylpiperidin-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167740368
5-[[(3-aminophenyl)methylamino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167738128

Frequently Asked Questions

What is the IUPAC name of 5-[[7-(aminomethyl)-2-methyl-2,3-dihydroindol-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The IUPAC name of 5-[[7-(aminomethyl)-2-methyl-2,3-dihydroindol-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 167722349) is 5-[[7-(aminomethyl)-2-methyl-2,3-dihydroindol-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.
What is the SMILES notation for 5-[[7-(aminomethyl)-2-methyl-2,3-dihydroindol-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The canonical SMILES for 5-[[7-(aminomethyl)-2-methyl-2,3-dihydroindol-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is CC1Cc2cccc(CN)c2N1Cc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of 5-[[7-(aminomethyl)-2-methyl-2,3-dihydroindol-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The InChIKey is WPQVFEXRYHNBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4/c1-13-9-15-3-2-4-16(11-25)21(15)27(13)12-14-5-6-17-18(10-14)24(32)28(23(17)31)19-7-8-20(29)26-22(19)30/h2-6,10,13,19H,7-9,11-12,25H2,1H3,(H,26,29,30).
What are the key properties of 5-[[7-(aminomethyl)-2-methyl-2,3-dihydroindol-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
5-[[7-(aminomethyl)-2-methyl-2,3-dihydroindol-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 432.48 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[7-(aminomethyl)-2-methyl-2,3-dihydroindol-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 167722349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).