3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;2-(2-oxopiperidin-3-yl)-4-[2-[2-[4-oxo-6-(5H-pyrido[4,3-b]indol-7-yl)hexoxy]ethoxy]ethylamino]isoindole-1,3-dione;5H-pyrido[4,3-b]indole

C58H58N10O9 — CID 157065792

IUPAC3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;2-(2-oxopiperidin-3-yl)-4-[2-[2-[4-oxo-6-(5H-pyrido[4,3-b]indol-7-yl)hexoxy]ethoxy]ethylamino]isoindole-1,3-dione;5H-pyrido[4,3-b]indole
SMILESNc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O.O=C(CCCOCCOCCNc1cccc2c1C(=O)N(C1CCCNC1=O)C2=O)CCc1ccc2c(c1)[nH]c1ccncc12.c1ccc2c(c1)[nH]c1ccncc12
InChIInChI=1S/C34H37N5O6.C13H13N3O3.C11H8N2/c40-23(10-8-22-9-11-24-26-21-35-14-12-27(26)38-29(24)20-22)4-3-16-44-18-19-45-17-15-36-28-6-1-5-25-31(28)34(43)39(33(25)42)30-7-2-13-37-32(30)41;14-9-3-1-2-7-8(9)6-16(13(7)19)10-4-5-11(17)15-12(10)18;1-2-4-10-8(3-1)9-7-12-6-5-11(9)13-10/h1,5-6,9,11-12,14,20-21,30,36,38H,2-4,7-8,10,13,15-19H2,(H,37,41);1-3,10H,4-6,14H2,(H,15,17,18);1-7,13H
InChIKeyABVYUQTYPGQAEM-UHFFFAOYSA-N
MW1039.16 g/mol
LogP6.76
Rot. Bonds16

About 3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;2-(2-oxopiperidin-3-yl)-4-[2-[2-[4-oxo-6-(5H-pyrido[4,3-b]indol-7-yl)hexoxy]ethoxy]ethylamino]isoindole-1,3-dione;5H-pyrido[4,3-b]indole

3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;2-(2-oxopiperidin-3-yl)-4-[2-[2-[4-oxo-6-(5H-pyrido[4,3-b]indol-7-yl)hexoxy]ethoxy]ethylamino]isoindole-1,3-dione;5H-pyrido[4,3-b]indole (PubChem CID 157065792) has the molecular formula C58H58N10O9 and a molecular weight of 1039.16 g/mol. Its IUPAC name is 3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;2-(2-oxopiperidin-3-yl)-4-[2-[2-[4-oxo-6-(5H-pyrido[4,3-b]indol-7-yl)hexoxy]ethoxy]ethylamino]isoindole-1,3-dione;5H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;2-(2-oxopiperidin-3-yl)-4-[2-[2-[4-oxo-6-(5H-pyrido[4,3-b]indol-7-yl)hexoxy]ethoxy]ethylamino]isoindole-1,3-dione;5H-pyrido[4,3-b]indole
PubChem CID157065792
Molecular FormulaC58H58N10O9
Molecular Weight1039.16 g/mol
Exact Mass1038.44
IUPAC Name3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;2-(2-oxopiperidin-3-yl)-4-[2-[2-[4-oxo-6-(5H-pyrido[4,3-b]indol-7-yl)hexoxy]ethoxy]ethylamino]isoindole-1,3-dione;5H-pyrido[4,3-b]indole
SMILESNc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O.O=C(CCCOCCOCCNc1cccc2c1C(=O)N(C1CCCNC1=O)C2=O)CCc1ccc2c(c1)[nH]c1ccncc12.c1ccc2c(c1)[nH]c1ccncc12
InChIInChI=1S/C34H37N5O6.C13H13N3O3.C11H8N2/c40-23(10-8-22-9-11-24-26-21-35-14-12-27(26)38-29(24)20-22)4-3-16-44-18-19-45-17-15-36-28-6-1-5-25-31(28)34(43)39(33(25)42)30-7-2-13-37-32(30)41;14-9-3-1-2-7-8(9)6-16(13(7)19)10-4-5-11(17)15-12(10)18;1-2-4-10-8(3-1)9-7-12-6-5-11(9)13-10/h1,5-6,9,11-12,14,20-21,30,36,38H,2-4,7-8,10,13,15-19H2,(H,37,41);1-3,10H,4-6,14H2,(H,15,17,18);1-7,13H
InChIKeyABVYUQTYPGQAEM-UHFFFAOYSA-N
XLogP6.76
TPSA263.90 Ų
H-Bond Donors6
H-Bond Acceptors13
Rotatable Bonds16
Heavy Atoms77
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001039.16
LogP ≤ 56.76
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1013

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'}

Analyze 3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;2-(2-oxopiperidin-3-yl)-4-[2-[2-[4-oxo-6-(5H-pyrido[4,3-b]indol-7-yl)hexoxy]ethoxy]ethylamino]isoindole-1,3-dione;5H-pyrido[4,3-b]indole with MolForge

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Related Compounds

N-[2-[2-[2-[2-[2-[2-[2-[2-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-(5H-pyrido[4,3-b]indol-7-yl)propanamide
CID 162262675
2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl hydrogen carbonate
CID 170175173
2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-(3-hydroxypropoxy)ethoxy]ethylamino]isoindole-1,3-dione
CID 166152544
butyl 3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]propanoate
CID 175817976
4-amino-N-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]-3-methoxybenzamide
CID 156883114
2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethylcarbamic acid
CID 146309802
2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamic acid
CID 166772095
4-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 131999707
4-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]-2-[(3S)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione
CID 166681219
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 25135307
4-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride
CID 169450028
4-[2-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxyethyl]-N-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]benzamide
CID 168740549

Frequently Asked Questions

What is the IUPAC name of 3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;2-(2-oxopiperidin-3-yl)-4-[2-[2-[4-oxo-6-(5H-pyrido[4,3-b]indol-7-yl)hexoxy]ethoxy]ethylamino]isoindole-1,3-dione;5H-pyrido[4,3-b]indole?
The IUPAC name of 3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;2-(2-oxopiperidin-3-yl)-4-[2-[2-[4-oxo-6-(5H-pyrido[4,3-b]indol-7-yl)hexoxy]ethoxy]ethylamino]isoindole-1,3-dione;5H-pyrido[4,3-b]indole (CID 157065792) is 3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;2-(2-oxopiperidin-3-yl)-4-[2-[2-[4-oxo-6-(5H-pyrido[4,3-b]indol-7-yl)hexoxy]ethoxy]ethylamino]isoindole-1,3-dione;5H-pyrido[4,3-b]indole.
What is the SMILES notation for 3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;2-(2-oxopiperidin-3-yl)-4-[2-[2-[4-oxo-6-(5H-pyrido[4,3-b]indol-7-yl)hexoxy]ethoxy]ethylamino]isoindole-1,3-dione;5H-pyrido[4,3-b]indole?
The canonical SMILES for 3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;2-(2-oxopiperidin-3-yl)-4-[2-[2-[4-oxo-6-(5H-pyrido[4,3-b]indol-7-yl)hexoxy]ethoxy]ethylamino]isoindole-1,3-dione;5H-pyrido[4,3-b]indole is Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O.O=C(CCCOCCOCCNc1cccc2c1C(=O)N(C1CCCNC1=O)C2=O)CCc1ccc2c(c1)[nH]c1ccncc12.c1ccc2c(c1)[nH]c1ccncc12.
What is the InChIKey of 3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;2-(2-oxopiperidin-3-yl)-4-[2-[2-[4-oxo-6-(5H-pyrido[4,3-b]indol-7-yl)hexoxy]ethoxy]ethylamino]isoindole-1,3-dione;5H-pyrido[4,3-b]indole?
The InChIKey is ABVYUQTYPGQAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37N5O6.C13H13N3O3.C11H8N2/c40-23(10-8-22-9-11-24-26-21-35-14-12-27(26)38-29(24)20-22)4-3-16-44-18-19-45-17-15-36-28-6-1-5-25-31(28)34(43)39(33(25)42)30-7-2-13-37-32(30)41;14-9-3-1-2-7-8(9)6-16(13(7)19)10-4-5-11(17)15-12(10)18;1-2-4-10-8(3-1)9-7-12-6-5-11(9)13-10/h1,5-6,9,11-12,14,20-21,30,36,38H,2-4,7-8,10,13,15-19H2,(H,37,41);1-3,10H,4-6,14H2,(H,15,17,18);1-7,13H.
What are the key properties of 3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;2-(2-oxopiperidin-3-yl)-4-[2-[2-[4-oxo-6-(5H-pyrido[4,3-b]indol-7-yl)hexoxy]ethoxy]ethylamino]isoindole-1,3-dione;5H-pyrido[4,3-b]indole?
3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;2-(2-oxopiperidin-3-yl)-4-[2-[2-[4-oxo-6-(5H-pyrido[4,3-b]indol-7-yl)hexoxy]ethoxy]ethylamino]isoindole-1,3-dione;5H-pyrido[4,3-b]indole has a molecular weight of 1039.16 g/mol, XLogP of 6.76, 16 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;2-(2-oxopiperidin-3-yl)-4-[2-[2-[4-oxo-6-(5H-pyrido[4,3-b]indol-7-yl)hexoxy]ethoxy]ethylamino]isoindole-1,3-dione;5H-pyrido[4,3-b]indole is sourced from PubChem (CID 157065792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).