2-[4-[2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]piperazin-1-yl]ethanol

C26H26F2N4O2 — CID 59238917

IUPAC2-[4-[2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(CCOc2c3[nH]c4ccc(F)cc4c3cc3c2[nH]c2ccc(F)cc23)CC1
InChIInChI=1S/C26H26F2N4O2/c27-16-1-3-22-18(13-16)20-15-21-19-14-17(28)2-4-23(19)30-25(21)26(24(20)29-22)34-12-10-32-7-5-31(6-8-32)9-11-33/h1-4,13-15,29-30,33H,5-12H2
InChIKeyMFNHISZBFFCXJP-UHFFFAOYSA-N
MW464.52 g/mol
LogP4.22
Rot. Bonds6

About 2-[4-[2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]piperazin-1-yl]ethanol

2-[4-[2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]piperazin-1-yl]ethanol (PubChem CID 59238917) has the molecular formula C26H26F2N4O2 and a molecular weight of 464.52 g/mol. Its IUPAC name is 2-[4-[2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]piperazin-1-yl]ethanol
PubChem CID59238917
Molecular FormulaC26H26F2N4O2
Molecular Weight464.52 g/mol
Exact Mass464.20
IUPAC Name2-[4-[2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(CCOc2c3[nH]c4ccc(F)cc4c3cc3c2[nH]c2ccc(F)cc23)CC1
InChIInChI=1S/C26H26F2N4O2/c27-16-1-3-22-18(13-16)20-15-21-19-14-17(28)2-4-23(19)30-25(21)26(24(20)29-22)34-12-10-32-7-5-31(6-8-32)9-11-33/h1-4,13-15,29-30,33H,5-12H2
InChIKeyMFNHISZBFFCXJP-UHFFFAOYSA-N
XLogP4.22
TPSA67.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.52
LogP ≤ 54.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]piperazin-1-yl]ethanol (CID 59238917) is 2-[4-[2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]piperazin-1-yl]ethanol is OCCN1CCN(CCOc2c3[nH]c4ccc(F)cc4c3cc3c2[nH]c2ccc(F)cc23)CC1.
What is the InChIKey of 2-[4-[2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]piperazin-1-yl]ethanol?
The InChIKey is MFNHISZBFFCXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F2N4O2/c27-16-1-3-22-18(13-16)20-15-21-19-14-17(28)2-4-23(19)30-25(21)26(24(20)29-22)34-12-10-32-7-5-31(6-8-32)9-11-33/h1-4,13-15,29-30,33H,5-12H2.
What are the key properties of 2-[4-[2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]piperazin-1-yl]ethanol?
2-[4-[2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]piperazin-1-yl]ethanol has a molecular weight of 464.52 g/mol, XLogP of 4.22, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 59238917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).