1-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]piperidin-4-amine

C26H26F2N4O — CID 59238974

IUPAC1-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]piperidin-4-amine
SMILESNC1CCN(CCCOc2c3[nH]c4ccc(F)cc4c3cc3c2[nH]c2ccc(F)cc23)CC1
InChIInChI=1S/C26H26F2N4O/c27-15-2-4-22-18(12-15)20-14-21-19-13-16(28)3-5-23(19)31-25(21)26(24(20)30-22)33-11-1-8-32-9-6-17(29)7-10-32/h2-5,12-14,17,30-31H,1,6-11,29H2
InChIKeyNWHXYGSJMJTZDK-UHFFFAOYSA-N
MW448.52 g/mol
LogP5.43
Rot. Bonds5

About 1-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]piperidin-4-amine

1-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]piperidin-4-amine (PubChem CID 59238974) has the molecular formula C26H26F2N4O and a molecular weight of 448.52 g/mol. Its IUPAC name is 1-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]piperidin-4-amine
PubChem CID59238974
Molecular FormulaC26H26F2N4O
Molecular Weight448.52 g/mol
Exact Mass448.21
IUPAC Name1-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]piperidin-4-amine
SMILESNC1CCN(CCCOc2c3[nH]c4ccc(F)cc4c3cc3c2[nH]c2ccc(F)cc23)CC1
InChIInChI=1S/C26H26F2N4O/c27-15-2-4-22-18(12-15)20-14-21-19-13-16(28)3-5-23(19)31-25(21)26(24(20)30-22)33-11-1-8-32-9-6-17(29)7-10-32/h2-5,12-14,17,30-31H,1,6-11,29H2
InChIKeyNWHXYGSJMJTZDK-UHFFFAOYSA-N
XLogP5.43
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.52
LogP ≤ 55.43
H-Bond Donors ≤ 53
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 1-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]piperidin-4-amine?
The IUPAC name of 1-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]piperidin-4-amine (CID 59238974) is 1-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]piperidin-4-amine.
What is the SMILES notation for 1-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]piperidin-4-amine?
The canonical SMILES for 1-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]piperidin-4-amine is NC1CCN(CCCOc2c3[nH]c4ccc(F)cc4c3cc3c2[nH]c2ccc(F)cc23)CC1.
What is the InChIKey of 1-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]piperidin-4-amine?
The InChIKey is NWHXYGSJMJTZDK-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)31-25(21)26(24(20)30-22)33-11-1-8-32-9-6-17(29)7-10-32/h2-5,12-14,17,30-31H,1,6-11,29H2.
What are the key properties of 1-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]piperidin-4-amine?
1-[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 5.43, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]piperidin-4-amine is sourced from PubChem (CID 59238974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).