tert-butyl 2-[3-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-4-yl]propyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate

C31H39N5O4 — CID 146599231

IUPACtert-butyl 2-[3-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-4-yl]propyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CN(CCCc1ccnc3c1c1ccccc1n3C1CCC(=O)NC1=O)C2
InChIInChI=1S/C31H39N5O4/c1-30(2,3)40-29(39)35-17-13-31(14-18-35)19-34(20-31)16-6-7-21-12-15-32-27-26(21)22-8-4-5-9-23(22)36(27)24-10-11-25(37)33-28(24)38/h4-5,8-9,12,15,24H,6-7,10-11,13-14,16-20H2,1-3H3,(H,33,37,38)
InChIKeyUGYXOKFZDYYAHM-UHFFFAOYSA-N
MW545.68 g/mol
LogP4.43
Rot. Bonds5

About tert-butyl 2-[3-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-4-yl]propyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate

tert-butyl 2-[3-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-4-yl]propyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate (PubChem CID 146599231) has the molecular formula C31H39N5O4 and a molecular weight of 545.68 g/mol. Its IUPAC name is tert-butyl 2-[3-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-4-yl]propyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[3-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-4-yl]propyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
PubChem CID146599231
Molecular FormulaC31H39N5O4
Molecular Weight545.68 g/mol
Exact Mass545.30
IUPAC Nametert-butyl 2-[3-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-4-yl]propyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CN(CCCc1ccnc3c1c1ccccc1n3C1CCC(=O)NC1=O)C2
InChIInChI=1S/C31H39N5O4/c1-30(2,3)40-29(39)35-17-13-31(14-18-35)19-34(20-31)16-6-7-21-12-15-32-27-26(21)22-8-4-5-9-23(22)36(27)24-10-11-25(37)33-28(24)38/h4-5,8-9,12,15,24H,6-7,10-11,13-14,16-20H2,1-3H3,(H,33,37,38)
InChIKeyUGYXOKFZDYYAHM-UHFFFAOYSA-N
XLogP4.43
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500545.68
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze tert-butyl 2-[3-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-4-yl]propyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate with MolForge

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Related Compounds

tert-butyl 2-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]propyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 146599514
3-[4-[3-[2-(2-aminoethoxy)ethoxy]propyl]pyrido[2,3-b]indol-9-yl]piperidine-2,6-dione;tert-butyl N-[2-[2-[3-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-4-yl]propoxy]ethoxy]ethyl]carbamate
CID 159936581
tert-butyl 2-[2-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]ethyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 146599264
tert-butyl 4-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]propyl]piperazine-1-carboxylate
CID 156861046
3-[4-[3-[4-[2-[3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]pyrimidin-5-yl]piperidin-1-yl]propyl]pyrido[2,3-b]indol-9-yl]piperidine-2,6-dione
CID 166016860
3-(4-but-1-ynylpyrido[2,3-b]indol-9-yl)piperidine-2,6-dione
CID 167693243
tert-butyl 4-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]propyl]piperidine-1-carboxylate
CID 146599088
3-[4-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]pyrido[2,3-b]indol-9-yl]piperidine-2,6-dione
CID 151743530
tert-butyl 2-[2-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]ethoxy]-7-azaspiro[3.5]nonane-7-carboxylate
CID 146598752
9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indole-4-carbaldehyde
CID 146598559
3-[4-[3-[4-[2-[3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]pyrimidin-5-yl]piperidin-1-yl]propyl]pyrido[2,3-b]indol-9-yl]piperidine-2,6-dione
CID 153390757
3-pyrido[2,3-b]indol-9-ylpiperidine-2,6-dione
CID 138728131

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[3-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-4-yl]propyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate?
The IUPAC name of tert-butyl 2-[3-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-4-yl]propyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate (CID 146599231) is tert-butyl 2-[3-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-4-yl]propyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate.
What is the SMILES notation for tert-butyl 2-[3-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-4-yl]propyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate?
The canonical SMILES for tert-butyl 2-[3-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-4-yl]propyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate is CC(C)(C)OC(=O)N1CCC2(CC1)CN(CCCc1ccnc3c1c1ccccc1n3C1CCC(=O)NC1=O)C2.
What is the InChIKey of tert-butyl 2-[3-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-4-yl]propyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate?
The InChIKey is UGYXOKFZDYYAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H39N5O4/c1-30(2,3)40-29(39)35-17-13-31(14-18-35)19-34(20-31)16-6-7-21-12-15-32-27-26(21)22-8-4-5-9-23(22)36(27)24-10-11-25(37)33-28(24)38/h4-5,8-9,12,15,24H,6-7,10-11,13-14,16-20H2,1-3H3,(H,33,37,38).
What are the key properties of tert-butyl 2-[3-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-4-yl]propyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate?
tert-butyl 2-[3-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-4-yl]propyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate has a molecular weight of 545.68 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[3-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-4-yl]propyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate is sourced from PubChem (CID 146599231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).