5-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-5-yl]pentanal

C21H21N3O3 — CID 151240446

IUPAC5-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-5-yl]pentanal
SMILESO=CCCCCc1cccc2c1c1cccnc1n2C1CCC(=O)NC1=O
InChIInChI=1S/C21H21N3O3/c25-13-3-1-2-6-14-7-4-9-16-19(14)15-8-5-12-22-20(15)24(16)17-10-11-18(26)23-21(17)27/h4-5,7-9,12-13,17H,1-3,6,10-11H2,(H,23,26,27)
InChIKeyNQEPQFOXSPQZOG-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.08
Rot. Bonds6

About 5-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-5-yl]pentanal

5-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-5-yl]pentanal (PubChem CID 151240446) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 5-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-5-yl]pentanal.

Molecular Properties

Compound Name5-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-5-yl]pentanal
PubChem CID151240446
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name5-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-5-yl]pentanal
SMILESO=CCCCCc1cccc2c1c1cccnc1n2C1CCC(=O)NC1=O
InChIInChI=1S/C21H21N3O3/c25-13-3-1-2-6-14-7-4-9-16-19(14)15-8-5-12-22-20(15)24(16)17-10-11-18(26)23-21(17)27/h4-5,7-9,12-13,17H,1-3,6,10-11H2,(H,23,26,27)
InChIKeyNQEPQFOXSPQZOG-UHFFFAOYSA-N
XLogP3.08
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[5-[3-[2-(2-aminoethoxy)ethoxy]propyl]pyrido[2,3-b]indol-9-yl]piperidine-2,6-dione
CID 138695172
ethane;3-(5-ethylpyrido[2,3-b]indol-9-yl)piperidine-2,6-dione
CID 170584325
3-(5-methylpyrido[2,3-b]indol-9-yl)piperidine-2,6-dione
CID 142616477
ethane;3-(5-methylpyrido[2,3-b]indol-9-yl)piperidine-2,6-dione
CID 156795243
3-pyrido[2,3-b]indol-9-ylpiperidine-2,6-dione
CID 138728131
3-[5-[3-[2-(2-phenylmethoxyethoxy)ethoxy]prop-1-ynyl]pyrido[2,3-b]indol-9-yl]piperidine-2,6-dione;3-[5-[3-(2-propoxyethoxy)propyl]pyrido[2,3-b]indol-9-yl]piperidine-2,6-dione
CID 167674228
5-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]propoxy]pentanal
CID 146599287
3-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)piperidine-2,6-dione
CID 153310470
9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indole-4-carbaldehyde
CID 146598559
3-[2-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-7-yl]carbazol-9-yl]piperidine-2,6-dione
CID 153390253
3-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)piperidine-2,6-dione
CID 153310477
3-[5-[2-[4-[[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]methyl]cyclohexyl]oxyethyl]pyrido[2,3-b]indol-9-yl]piperidine-2,6-dione
CID 155411578

Frequently Asked Questions

What is the IUPAC name of 5-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-5-yl]pentanal?
The IUPAC name of 5-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-5-yl]pentanal (CID 151240446) is 5-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-5-yl]pentanal.
What is the SMILES notation for 5-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-5-yl]pentanal?
The canonical SMILES for 5-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-5-yl]pentanal is O=CCCCCc1cccc2c1c1cccnc1n2C1CCC(=O)NC1=O.
What is the InChIKey of 5-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-5-yl]pentanal?
The InChIKey is NQEPQFOXSPQZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c25-13-3-1-2-6-14-7-4-9-16-19(14)15-8-5-12-22-20(15)24(16)17-10-11-18(26)23-21(17)27/h4-5,7-9,12-13,17H,1-3,6,10-11H2,(H,23,26,27).
What are the key properties of 5-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-5-yl]pentanal?
5-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-5-yl]pentanal has a molecular weight of 363.42 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-5-yl]pentanal is sourced from PubChem (CID 151240446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).