7-(6-cyclobutyloxy-3-pyridinyl)-5-methylpyrido[4,3-b]indole;5-[6-(2,2-difluoro-5-hydroxypentyl)-2,6-diazaspiro[3.3]heptan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

C44H45F2N7O6 — CID 142364968

IUPAC7-(6-cyclobutyloxy-3-pyridinyl)-5-methylpyrido[4,3-b]indole;5-[6-(2,2-difluoro-5-hydroxypentyl)-2,6-diazaspiro[3.3]heptan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESCn1c2ccncc2c2ccc(-c3ccc(OC4CCC4)nc3)cc21.O=C1CCC(N2C(=O)c3ccc(N4CC5(CN(CC(F)(F)CCCO)C5)C4)cc3C2=O)C(=O)N1
InChIInChI=1S/C23H26F2N4O5.C21H19N3O/c24-23(25,6-1-7-30)13-27-9-22(10-27)11-28(12-22)14-2-3-15-16(8-14)21(34)29(20(15)33)17-4-5-18(31)26-19(17)32;1-24-19-9-10-22-13-18(19)17-7-5-14(11-20(17)24)15-6-8-21(23-12-15)25-16-3-2-4-16/h2-3,8,17,30H,1,4-7,9-13H2,(H,26,31,32);5-13,16H,2-4H2,1H3
InChIKeyCBDDMVSSOADGBP-UHFFFAOYSA-N
MW805.88 g/mol
LogP5.34
Rot. Bonds10

About 7-(6-cyclobutyloxy-3-pyridinyl)-5-methylpyrido[4,3-b]indole;5-[6-(2,2-difluoro-5-hydroxypentyl)-2,6-diazaspiro[3.3]heptan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

7-(6-cyclobutyloxy-3-pyridinyl)-5-methylpyrido[4,3-b]indole;5-[6-(2,2-difluoro-5-hydroxypentyl)-2,6-diazaspiro[3.3]heptan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 142364968) has the molecular formula C44H45F2N7O6 and a molecular weight of 805.88 g/mol. Its IUPAC name is 7-(6-cyclobutyloxy-3-pyridinyl)-5-methylpyrido[4,3-b]indole;5-[6-(2,2-difluoro-5-hydroxypentyl)-2,6-diazaspiro[3.3]heptan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name7-(6-cyclobutyloxy-3-pyridinyl)-5-methylpyrido[4,3-b]indole;5-[6-(2,2-difluoro-5-hydroxypentyl)-2,6-diazaspiro[3.3]heptan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
PubChem CID142364968
Molecular FormulaC44H45F2N7O6
Molecular Weight805.88 g/mol
Exact Mass805.34
IUPAC Name7-(6-cyclobutyloxy-3-pyridinyl)-5-methylpyrido[4,3-b]indole;5-[6-(2,2-difluoro-5-hydroxypentyl)-2,6-diazaspiro[3.3]heptan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESCn1c2ccncc2c2ccc(-c3ccc(OC4CCC4)nc3)cc21.O=C1CCC(N2C(=O)c3ccc(N4CC5(CN(CC(F)(F)CCCO)C5)C4)cc3C2=O)C(=O)N1
InChIInChI=1S/C23H26F2N4O5.C21H19N3O/c24-23(25,6-1-7-30)13-27-9-22(10-27)11-28(12-22)14-2-3-15-16(8-14)21(34)29(20(15)33)17-4-5-18(31)26-19(17)32;1-24-19-9-10-22-13-18(19)17-7-5-14(11-20(17)24)15-6-8-21(23-12-15)25-16-3-2-4-16/h2-3,8,17,30H,1,4-7,9-13H2,(H,26,31,32);5-13,16H,2-4H2,1H3
InChIKeyCBDDMVSSOADGBP-UHFFFAOYSA-N
XLogP5.34
TPSA150.20 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500805.88
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 7-(6-cyclobutyloxy-3-pyridinyl)-5-methylpyrido[4,3-b]indole;5-[6-(2,2-difluoro-5-hydroxypentyl)-2,6-diazaspiro[3.3]heptan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione with MolForge

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Related Compounds

2-(2,6-Dioxopiperidin-3-yl)-5-[4-[6-[3-[5-(5-methylpyrido[4,3-b]indol-7-yl)pyridin-2-yl]oxycyclobutyl]oxyhexyl]-3-(trifluoromethyl)piperazin-1-yl]isoindole-1,3-dione
CID 134481292
5-[6-[2,2-Difluoro-5-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypentoxy]-2-azaspiro[3.3]heptan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 134481298
2-(2,6-Dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[2-[[3-fluoro-5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione
CID 134481306
5-[2-[2-[2-[2-[2-[[5-(8,9-difluoro-5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 134481309
5-[2-[2,2-Difluoro-3-[4-[3-[5-(5-methylpyrido[4,3-b]indol-7-yl)pyridin-2-yl]oxycyclobutyl]oxypiperidin-1-yl]propoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 134481313
5-[3-[2,2-Difluoro-3-[3-[3-[5-(5-methylpyrido[4,3-b]indol-7-yl)pyridin-2-yl]oxycyclobutyl]oxypropoxy]propoxy]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 134481315
2-(2,6-Dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[2-[5-(5-methylpyrido[4,3-b]indol-7-yl)-6-(trifluoromethyl)pyridin-2-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione
CID 134481320
5-[3-[3-[3-[3-[[5-(8,9-Difluoro-5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypropoxy]propoxy]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 134481322
2-(2,6-Dioxopiperidin-3-yl)-5-[3-[3-[5-[3-[5-(5-methylpyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)pyridin-2-yl]oxycyclobutyl]oxypyridin-2-yl]prop-2-ynoxy]azetidin-1-yl]isoindole-1,3-dione
CID 134481330
2-(2,6-Dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[2-[5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]pyridin-2-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione
CID 134481343
5-[6-[2,2-Difluoro-5-[3-[5-(5-methylpyrido[4,3-b]indol-7-yl)pyridin-2-yl]oxycyclobutyl]oxypentyl]-2,6-diazaspiro[3.3]heptan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 134481359
5-[2-[2-[2-[2-[2-[[5-(8,9-Difluoro-5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 134481362

Frequently Asked Questions

What is the IUPAC name of 7-(6-cyclobutyloxy-3-pyridinyl)-5-methylpyrido[4,3-b]indole;5-[6-(2,2-difluoro-5-hydroxypentyl)-2,6-diazaspiro[3.3]heptan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The IUPAC name of 7-(6-cyclobutyloxy-3-pyridinyl)-5-methylpyrido[4,3-b]indole;5-[6-(2,2-difluoro-5-hydroxypentyl)-2,6-diazaspiro[3.3]heptan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 142364968) is 7-(6-cyclobutyloxy-3-pyridinyl)-5-methylpyrido[4,3-b]indole;5-[6-(2,2-difluoro-5-hydroxypentyl)-2,6-diazaspiro[3.3]heptan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.
What is the SMILES notation for 7-(6-cyclobutyloxy-3-pyridinyl)-5-methylpyrido[4,3-b]indole;5-[6-(2,2-difluoro-5-hydroxypentyl)-2,6-diazaspiro[3.3]heptan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The canonical SMILES for 7-(6-cyclobutyloxy-3-pyridinyl)-5-methylpyrido[4,3-b]indole;5-[6-(2,2-difluoro-5-hydroxypentyl)-2,6-diazaspiro[3.3]heptan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is Cn1c2ccncc2c2ccc(-c3ccc(OC4CCC4)nc3)cc21.O=C1CCC(N2C(=O)c3ccc(N4CC5(CN(CC(F)(F)CCCO)C5)C4)cc3C2=O)C(=O)N1.
What is the InChIKey of 7-(6-cyclobutyloxy-3-pyridinyl)-5-methylpyrido[4,3-b]indole;5-[6-(2,2-difluoro-5-hydroxypentyl)-2,6-diazaspiro[3.3]heptan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The InChIKey is CBDDMVSSOADGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2N4O5.C21H19N3O/c24-23(25,6-1-7-30)13-27-9-22(10-27)11-28(12-22)14-2-3-15-16(8-14)21(34)29(20(15)33)17-4-5-18(31)26-19(17)32;1-24-19-9-10-22-13-18(19)17-7-5-14(11-20(17)24)15-6-8-21(23-12-15)25-16-3-2-4-16/h2-3,8,17,30H,1,4-7,9-13H2,(H,26,31,32);5-13,16H,2-4H2,1H3.
What are the key properties of 7-(6-cyclobutyloxy-3-pyridinyl)-5-methylpyrido[4,3-b]indole;5-[6-(2,2-difluoro-5-hydroxypentyl)-2,6-diazaspiro[3.3]heptan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
7-(6-cyclobutyloxy-3-pyridinyl)-5-methylpyrido[4,3-b]indole;5-[6-(2,2-difluoro-5-hydroxypentyl)-2,6-diazaspiro[3.3]heptan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 805.88 g/mol, XLogP of 5.34, 10 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-cyclobutyloxy-3-pyridinyl)-5-methylpyrido[4,3-b]indole;5-[6-(2,2-difluoro-5-hydroxypentyl)-2,6-diazaspiro[3.3]heptan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 142364968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).