3-(4-bromopyrido[2,3-b]indol-9-yl)piperidine-2,6-dione;tert-butyl N-[2-[3-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-6-yl]propoxy]ethyl]carbamate;tert-butyl N-[2-[3-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-6-yl]prop-2-ynoxy]ethyl]carbamate;9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indole-6-carbonitrile

C85H84BrN15O14 — CID 167704425

About 3-(4-bromopyrido[2,3-b]indol-9-yl)piperidine-2,6-dione;tert-butyl N-[2-[3-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-6-yl]propoxy]ethyl]carbamate;tert-butyl N-[2-[3-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-6-yl]prop-2-ynoxy]ethyl]carbamate;9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indole-6-carbonitrile

3-(4-bromopyrido[2,3-b]indol-9-yl)piperidine-2,6-dione;tert-butyl N-[2-[3-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-6-yl]propoxy]ethyl]carbamate;tert-butyl N-[2-[3-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-6-yl]prop-2-ynoxy]ethyl]carbamate;9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indole-6-carbonitrile (PubChem CID 167704425) has the molecular formula C85H84BrN15O14 and a molecular weight of 1619.60 g/mol. Its IUPAC name is 3-(4-bromopyrido[2,3-b]indol-9-yl)piperidine-2,6-dione;tert-butyl N-[2-[3-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-6-yl]propoxy]ethyl]carbamate;tert-butyl N-[2-[3-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-6-yl]prop-2-ynoxy]ethyl]carbamate;9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indole-6-carbonitrile.

Molecular Properties

• Compound Name: 3-(4-bromopyrido[2,3-b]indol-9-yl)piperidine-2,6-dione;tert-butyl N-[2-[3-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-6-yl]propoxy]ethyl]carbamate;tert-butyl N-[2-[3-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-6-yl]prop-2-ynoxy]ethyl]carbamate;9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indole-6-carbonitrile
• PubChem CID: 167704425
• Molecular Formula: C85H84BrN15O14
• Molecular Weight: 1619.60 g/mol
• Exact Mass: 1617.55
• IUPAC Name: 3-(4-bromopyrido[2,3-b]indol-9-yl)piperidine-2,6-dione;tert-butyl N-[2-[3-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-6-yl]propoxy]ethyl]carbamate;tert-butyl N-[2-[3-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-6-yl]prop-2-ynoxy]ethyl]carbamate;9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indole-6-carbonitrile
• SMILES: CC(C)(C)OC(=O)NCCOCC#Cc1ccc2c(c1)c1cccnc1n2C1CCC(=O)NC1=O.CC(C)(C)OC(=O)NCCOCCCc1ccc2c(c1)c1cccnc1n2C1CCC(=O)NC1=O.N#Cc1ccc2c(c1)c1cccnc1n2C1CCC(=O)NC1=O.O=C1CCC(n2c3ccccc3c3c(Br)ccnc32)C(=O)N1
• InChI: InChI=1S/C26H32N4O5.C26H28N4O5.C17H12N4O2.C16H12BrN3O2/c2*1-26(2,3)35-25(33)28-13-15-34-14-5-6-17-8-9-20-19(16-17)18-7-4-12-27-23(18)30(20)21-10-11-22(31)29-24(21)32;18-9-10-3-4-13-12(8-10)11-2-1-7-19-16(11)21(13)14-5-6-15(22)20-17(14)23;17-10-7-8-18-15-14(10)9-3-1-2-4-11(9)20(15)12-5-6-13(21)19-16(12)22/h4,7-9,12,16,21H,5-6,10-11,13-15H2,1-3H3,(H,28,33)(H,29,31,32);4,7-9,12,16,21H,10-11,13-15H2,1-3H3,(H,28,33)(H,29,31,32);1-4,7-8,14H,5-6H2,(H,20,22,23);1-4,7-8,12H,5-6H2,(H,19,21,22)
• InChIKey: YWPJWFYNZXHXBN-UHFFFAOYSA-N
• XLogP: 11.67
• TPSA: 374.87 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 23
• Rotatable Bonds: 15
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1619.60
LogP ≤ 5	11.67
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	23

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'}

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromopyrido[2,3-b]indol-9-yl)piperidine-2,6-dione;tert-butyl N-[2-[3-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-6-yl]propoxy]ethyl]carbamate;tert-butyl N-[2-[3-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-6-yl]prop-2-ynoxy]ethyl]carbamate;9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indole-6-carbonitrile?

The IUPAC name of 3-(4-bromopyrido[2,3-b]indol-9-yl)piperidine-2,6-dione;tert-butyl N-[2-[3-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-6-yl]propoxy]ethyl]carbamate;tert-butyl N-[2-[3-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-6-yl]prop-2-ynoxy]ethyl]carbamate;9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indole-6-carbonitrile (CID 167704425) is 3-(4-bromopyrido[2,3-b]indol-9-yl)piperidine-2,6-dione;tert-butyl N-[2-[3-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-6-yl]propoxy]ethyl]carbamate;tert-butyl N-[2-[3-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-6-yl]prop-2-ynoxy]ethyl]carbamate;9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indole-6-carbonitrile.

What is the SMILES notation for 3-(4-bromopyrido[2,3-b]indol-9-yl)piperidine-2,6-dione;tert-butyl N-[2-[3-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-6-yl]propoxy]ethyl]carbamate;tert-butyl N-[2-[3-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-6-yl]prop-2-ynoxy]ethyl]carbamate;9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indole-6-carbonitrile?

The canonical SMILES for 3-(4-bromopyrido[2,3-b]indol-9-yl)piperidine-2,6-dione;tert-butyl N-[2-[3-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-6-yl]propoxy]ethyl]carbamate;tert-butyl N-[2-[3-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-6-yl]prop-2-ynoxy]ethyl]carbamate;9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indole-6-carbonitrile is CC(C)(C)OC(=O)NCCOCC#Cc1ccc2c(c1)c1cccnc1n2C1CCC(=O)NC1=O.CC(C)(C)OC(=O)NCCOCCCc1ccc2c(c1)c1cccnc1n2C1CCC(=O)NC1=O.N#Cc1ccc2c(c1)c1cccnc1n2C1CCC(=O)NC1=O.O=C1CCC(n2c3ccccc3c3c(Br)ccnc32)C(=O)N1.

What is the InChIKey of 3-(4-bromopyrido[2,3-b]indol-9-yl)piperidine-2,6-dione;tert-butyl N-[2-[3-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-6-yl]propoxy]ethyl]carbamate;tert-butyl N-[2-[3-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-6-yl]prop-2-ynoxy]ethyl]carbamate;9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indole-6-carbonitrile?

The InChIKey is YWPJWFYNZXHXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O5.C26H28N4O5.C17H12N4O2.C16H12BrN3O2/c2*1-26(2,3)35-25(33)28-13-15-34-14-5-6-17-8-9-20-19(16-17)18-7-4-12-27-23(18)30(20)21-10-11-22(31)29-24(21)32;18-9-10-3-4-13-12(8-10)11-2-1-7-19-16(11)21(13)14-5-6-15(22)20-17(14)23;17-10-7-8-18-15-14(10)9-3-1-2-4-11(9)20(15)12-5-6-13(21)19-16(12)22/h4,7-9,12,16,21H,5-6,10-11,13-15H2,1-3H3,(H,28,33)(H,29,31,32);4,7-9,12,16,21H,10-11,13-15H2,1-3H3,(H,28,33)(H,29,31,32);1-4,7-8,14H,5-6H2,(H,20,22,23);1-4,7-8,12H,5-6H2,(H,19,21,22).

What are the key properties of 3-(4-bromopyrido[2,3-b]indol-9-yl)piperidine-2,6-dione;tert-butyl N-[2-[3-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-6-yl]propoxy]ethyl]carbamate;tert-butyl N-[2-[3-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-6-yl]prop-2-ynoxy]ethyl]carbamate;9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indole-6-carbonitrile?

3-(4-bromopyrido[2,3-b]indol-9-yl)piperidine-2,6-dione;tert-butyl N-[2-[3-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-6-yl]propoxy]ethyl]carbamate;tert-butyl N-[2-[3-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-6-yl]prop-2-ynoxy]ethyl]carbamate;9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indole-6-carbonitrile has a molecular weight of 1619.60 g/mol, XLogP of 11.67, 15 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-bromopyrido[2,3-b]indol-9-yl)piperidine-2,6-dione;tert-butyl N-[2-[3-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-6-yl]propoxy]ethyl]carbamate;tert-butyl N-[2-[3-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-6-yl]prop-2-ynoxy]ethyl]carbamate;9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indole-6-carbonitrile is sourced from PubChem (CID 167704425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).