6-[2-(3,5-dimethylpiperazin-1-yl)ethoxy]-2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazole

C26H26F2N4O — CID 59238918

IUPAC6-[2-(3,5-dimethylpiperazin-1-yl)ethoxy]-2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazole
SMILESCC1CN(CCOc2c3[nH]c4ccc(F)cc4c3cc3c2[nH]c2ccc(F)cc23)CC(C)N1
InChIInChI=1S/C26H26F2N4O/c1-14-12-32(13-15(2)29-14)7-8-33-26-24-20(18-9-16(27)3-5-22(18)30-24)11-21-19-10-17(28)4-6-23(19)31-25(21)26/h3-6,9-11,14-15,29-31H,7-8,12-13H2,1-2H3
InChIKeyFLOQEOJWDQDAGY-UHFFFAOYSA-N
MW448.52 g/mol
LogP5.29
Rot. Bonds4

About 6-[2-(3,5-dimethylpiperazin-1-yl)ethoxy]-2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazole

6-[2-(3,5-dimethylpiperazin-1-yl)ethoxy]-2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazole (PubChem CID 59238918) has the molecular formula C26H26F2N4O and a molecular weight of 448.52 g/mol. Its IUPAC name is 6-[2-(3,5-dimethylpiperazin-1-yl)ethoxy]-2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazole.

Molecular Properties

Compound Name6-[2-(3,5-dimethylpiperazin-1-yl)ethoxy]-2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazole
PubChem CID59238918
Molecular FormulaC26H26F2N4O
Molecular Weight448.52 g/mol
Exact Mass448.21
IUPAC Name6-[2-(3,5-dimethylpiperazin-1-yl)ethoxy]-2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazole
SMILESCC1CN(CCOc2c3[nH]c4ccc(F)cc4c3cc3c2[nH]c2ccc(F)cc23)CC(C)N1
InChIInChI=1S/C26H26F2N4O/c1-14-12-32(13-15(2)29-14)7-8-33-26-24-20(18-9-16(27)3-5-22(18)30-24)11-21-19-10-17(28)4-6-23(19)31-25(21)26/h3-6,9-11,14-15,29-31H,7-8,12-13H2,1-2H3
InChIKeyFLOQEOJWDQDAGY-UHFFFAOYSA-N
XLogP5.29
TPSA56.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.52
LogP ≤ 55.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(3,5-dimethylpiperazin-1-yl)ethoxy]-2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazole?
The IUPAC name of 6-[2-(3,5-dimethylpiperazin-1-yl)ethoxy]-2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazole (CID 59238918) is 6-[2-(3,5-dimethylpiperazin-1-yl)ethoxy]-2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazole.
What is the SMILES notation for 6-[2-(3,5-dimethylpiperazin-1-yl)ethoxy]-2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazole?
The canonical SMILES for 6-[2-(3,5-dimethylpiperazin-1-yl)ethoxy]-2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazole is CC1CN(CCOc2c3[nH]c4ccc(F)cc4c3cc3c2[nH]c2ccc(F)cc23)CC(C)N1.
What is the InChIKey of 6-[2-(3,5-dimethylpiperazin-1-yl)ethoxy]-2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazole?
The InChIKey is FLOQEOJWDQDAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F2N4O/c1-14-12-32(13-15(2)29-14)7-8-33-26-24-20(18-9-16(27)3-5-22(18)30-24)11-21-19-10-17(28)4-6-23(19)31-25(21)26/h3-6,9-11,14-15,29-31H,7-8,12-13H2,1-2H3.
What are the key properties of 6-[2-(3,5-dimethylpiperazin-1-yl)ethoxy]-2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazole?
6-[2-(3,5-dimethylpiperazin-1-yl)ethoxy]-2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazole has a molecular weight of 448.52 g/mol, XLogP of 5.29, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3,5-dimethylpiperazin-1-yl)ethoxy]-2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazole is sourced from PubChem (CID 59238918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).