2,10-difluoro-6-(2-piperazin-1-ylethoxy)-5,7-dihydroindolo[2,3-b]carbazole

C24H22F2N4O — CID 59238950

IUPAC2,10-difluoro-6-(2-piperazin-1-ylethoxy)-5,7-dihydroindolo[2,3-b]carbazole
SMILESFc1ccc2[nH]c3c(OCCN4CCNCC4)c4[nH]c5ccc(F)cc5c4cc3c2c1
InChIInChI=1S/C24H22F2N4O/c25-14-1-3-20-16(11-14)18-13-19-17-12-15(26)2-4-21(17)29-23(19)24(22(18)28-20)31-10-9-30-7-5-27-6-8-30/h1-4,11-13,27-29H,5-10H2
InChIKeyLQEMJICHEVJOEE-UHFFFAOYSA-N
MW420.46 g/mol
LogP4.52
Rot. Bonds4

About 2,10-difluoro-6-(2-piperazin-1-ylethoxy)-5,7-dihydroindolo[2,3-b]carbazole

2,10-difluoro-6-(2-piperazin-1-ylethoxy)-5,7-dihydroindolo[2,3-b]carbazole (PubChem CID 59238950) has the molecular formula C24H22F2N4O and a molecular weight of 420.46 g/mol. Its IUPAC name is 2,10-difluoro-6-(2-piperazin-1-ylethoxy)-5,7-dihydroindolo[2,3-b]carbazole.

Molecular Properties

Compound Name2,10-difluoro-6-(2-piperazin-1-ylethoxy)-5,7-dihydroindolo[2,3-b]carbazole
PubChem CID59238950
Molecular FormulaC24H22F2N4O
Molecular Weight420.46 g/mol
Exact Mass420.18
IUPAC Name2,10-difluoro-6-(2-piperazin-1-ylethoxy)-5,7-dihydroindolo[2,3-b]carbazole
SMILESFc1ccc2[nH]c3c(OCCN4CCNCC4)c4[nH]c5ccc(F)cc5c4cc3c2c1
InChIInChI=1S/C24H22F2N4O/c25-14-1-3-20-16(11-14)18-13-19-17-12-15(26)2-4-21(17)29-23(19)24(22(18)28-20)31-10-9-30-7-5-27-6-8-30/h1-4,11-13,27-29H,5-10H2
InChIKeyLQEMJICHEVJOEE-UHFFFAOYSA-N
XLogP4.52
TPSA56.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.46
LogP ≤ 54.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,10-difluoro-6-(2-piperazin-1-ylethoxy)-5,7-dihydroindolo[2,3-b]carbazole?
The IUPAC name of 2,10-difluoro-6-(2-piperazin-1-ylethoxy)-5,7-dihydroindolo[2,3-b]carbazole (CID 59238950) is 2,10-difluoro-6-(2-piperazin-1-ylethoxy)-5,7-dihydroindolo[2,3-b]carbazole.
What is the SMILES notation for 2,10-difluoro-6-(2-piperazin-1-ylethoxy)-5,7-dihydroindolo[2,3-b]carbazole?
The canonical SMILES for 2,10-difluoro-6-(2-piperazin-1-ylethoxy)-5,7-dihydroindolo[2,3-b]carbazole is Fc1ccc2[nH]c3c(OCCN4CCNCC4)c4[nH]c5ccc(F)cc5c4cc3c2c1.
What is the InChIKey of 2,10-difluoro-6-(2-piperazin-1-ylethoxy)-5,7-dihydroindolo[2,3-b]carbazole?
The InChIKey is LQEMJICHEVJOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N4O/c25-14-1-3-20-16(11-14)18-13-19-17-12-15(26)2-4-21(17)29-23(19)24(22(18)28-20)31-10-9-30-7-5-27-6-8-30/h1-4,11-13,27-29H,5-10H2.
What are the key properties of 2,10-difluoro-6-(2-piperazin-1-ylethoxy)-5,7-dihydroindolo[2,3-b]carbazole?
2,10-difluoro-6-(2-piperazin-1-ylethoxy)-5,7-dihydroindolo[2,3-b]carbazole has a molecular weight of 420.46 g/mol, XLogP of 4.52, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,10-difluoro-6-(2-piperazin-1-ylethoxy)-5,7-dihydroindolo[2,3-b]carbazole is sourced from PubChem (CID 59238950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).