N-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]piperidin-4-amine

C26H26F2N4O — CID 59238886

IUPACN-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]piperidin-4-amine
SMILESFc1ccc2[nH]c3c(OCCCNC4CCNCC4)c4[nH]c5ccc(F)cc5c4cc3c2c1
InChIInChI=1S/C26H26F2N4O/c27-15-2-4-22-18(12-15)20-14-21-19-13-16(28)3-5-23(19)32-25(21)26(24(20)31-22)33-11-1-8-30-17-6-9-29-10-7-17/h2-5,12-14,17,29-32H,1,6-11H2
InChIKeyGERHIBAIRJOHBI-UHFFFAOYSA-N
MW448.52 g/mol
LogP5.34
Rot. Bonds6

About N-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]piperidin-4-amine

N-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]piperidin-4-amine (PubChem CID 59238886) has the molecular formula C26H26F2N4O and a molecular weight of 448.52 g/mol. Its IUPAC name is N-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]piperidin-4-amine.

Molecular Properties

Compound NameN-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]piperidin-4-amine
PubChem CID59238886
Molecular FormulaC26H26F2N4O
Molecular Weight448.52 g/mol
Exact Mass448.21
IUPAC NameN-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]piperidin-4-amine
SMILESFc1ccc2[nH]c3c(OCCCNC4CCNCC4)c4[nH]c5ccc(F)cc5c4cc3c2c1
InChIInChI=1S/C26H26F2N4O/c27-15-2-4-22-18(12-15)20-14-21-19-13-16(28)3-5-23(19)32-25(21)26(24(20)31-22)33-11-1-8-30-17-6-9-29-10-7-17/h2-5,12-14,17,29-32H,1,6-11H2
InChIKeyGERHIBAIRJOHBI-UHFFFAOYSA-N
XLogP5.34
TPSA64.87 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.52
LogP ≤ 55.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]piperidin-4-amine?
The IUPAC name of N-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]piperidin-4-amine (CID 59238886) is N-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]piperidin-4-amine.
What is the SMILES notation for N-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]piperidin-4-amine?
The canonical SMILES for N-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]piperidin-4-amine is Fc1ccc2[nH]c3c(OCCCNC4CCNCC4)c4[nH]c5ccc(F)cc5c4cc3c2c1.
What is the InChIKey of N-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]piperidin-4-amine?
The InChIKey is GERHIBAIRJOHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F2N4O/c27-15-2-4-22-18(12-15)20-14-21-19-13-16(28)3-5-23(19)32-25(21)26(24(20)31-22)33-11-1-8-30-17-6-9-29-10-7-17/h2-5,12-14,17,29-32H,1,6-11H2.
What are the key properties of N-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]piperidin-4-amine?
N-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]piperidin-4-amine has a molecular weight of 448.52 g/mol, XLogP of 5.34, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]piperidin-4-amine is sourced from PubChem (CID 59238886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).