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

C54H58N6O9 — CID 167674228

IUPAC3-[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
SMILESCCCOCCOCCCc1cccc2c1c1cccnc1n2C1CCC(=O)NC1=O.O=C1CCC(n2c3cccc(C#CCOCCOCCOCc4ccccc4)c3c3cccnc32)C(=O)N1
InChIInChI=1S/C30H29N3O5.C24H29N3O4/c34-27-14-13-26(30(35)32-27)33-25-12-4-9-23(28(25)24-11-5-15-31-29(24)33)10-6-16-36-17-18-37-19-20-38-21-22-7-2-1-3-8-22;1-2-13-30-15-16-31-14-5-7-17-6-3-9-19-22(17)18-8-4-12-25-23(18)27(19)20-10-11-21(28)26-24(20)29/h1-5,7-9,11-12,15,26H,13-14,16-21H2,(H,32,34,35);3-4,6,8-9,12,20H,2,5,7,10-11,13-16H2,1H3,(H,26,28,29)
InChIKeyUOSHFEOCZHJNDN-UHFFFAOYSA-N
MW935.09 g/mol
LogP7.31
Rot. Bonds20

About 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

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 (PubChem CID 167674228) has the molecular formula C54H58N6O9 and a molecular weight of 935.09 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID167674228
Molecular FormulaC54H58N6O9
Molecular Weight935.09 g/mol
Exact Mass934.43
IUPAC Name3-[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
SMILESCCCOCCOCCCc1cccc2c1c1cccnc1n2C1CCC(=O)NC1=O.O=C1CCC(n2c3cccc(C#CCOCCOCCOCc4ccccc4)c3c3cccnc32)C(=O)N1
InChIInChI=1S/C30H29N3O5.C24H29N3O4/c34-27-14-13-26(30(35)32-27)33-25-12-4-9-23(28(25)24-11-5-15-31-29(24)33)10-6-16-36-17-18-37-19-20-38-21-22-7-2-1-3-8-22;1-2-13-30-15-16-31-14-5-7-17-6-3-9-19-22(17)18-8-4-12-25-23(18)27(19)20-10-11-21(28)26-24(20)29/h1-5,7-9,11-12,15,26H,13-14,16-21H2,(H,32,34,35);3-4,6,8-9,12,20H,2,5,7,10-11,13-16H2,1H3,(H,26,28,29)
InChIKeyUOSHFEOCZHJNDN-UHFFFAOYSA-N
XLogP7.31
TPSA174.13 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds20
Heavy Atoms69
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500935.09
LogP ≤ 57.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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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
tert-butyl N-[2-[2-[3-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-5-yl]prop-2-ynoxy]ethoxy]ethyl]carbamate
CID 138727458
ethane;3-(5-ethylpyrido[2,3-b]indol-9-yl)piperidine-2,6-dione
CID 170584325
5-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-5-yl]pentanal
CID 151240446
3-(4-but-1-ynylpyrido[2,3-b]indol-9-yl)piperidine-2,6-dione
CID 167693243
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-[4-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]pyrido[2,3-b]indol-9-yl]piperidine-2,6-dione
CID 151743530
3-pyrido[2,3-b]indol-9-ylpiperidine-2,6-dione
CID 138728131
CID 157214033
CID 157214033
3-[3-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-6-yl]propoxy]propyl-methylcarbamic acid
CID 138696039
4-[3-(2-aminoethoxy)propyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;bis[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-(2,6-dioxopiperidin-3-yl)-4-(3-propoxyprop-1-ynyl)isoindole-1,3-dione
CID 159275142

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCOCCOCCCc1cccc2c1c1cccnc1n2C1CCC(=O)NC1=O.O=C1CCC(n2c3cccc(C#CCOCCOCCOCc4ccccc4)c3c3cccnc32)C(=O)N1.
What is the InChIKey of 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?
The InChIKey is UOSHFEOCZHJNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N3O5.C24H29N3O4/c34-27-14-13-26(30(35)32-27)33-25-12-4-9-23(28(25)24-11-5-15-31-29(24)33)10-6-16-36-17-18-37-19-20-38-21-22-7-2-1-3-8-22;1-2-13-30-15-16-31-14-5-7-17-6-3-9-19-22(17)18-8-4-12-25-23(18)27(19)20-10-11-21(28)26-24(20)29/h1-5,7-9,11-12,15,26H,13-14,16-21H2,(H,32,34,35);3-4,6,8-9,12,20H,2,5,7,10-11,13-16H2,1H3,(H,26,28,29).
What are the key properties of 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?
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 has a molecular weight of 935.09 g/mol, XLogP of 7.31, 20 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167674228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).