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

C25H24F2N4O — CID 59238912

IUPAC(3S)-1-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]pyrrolidin-3-amine
SMILESN[C@H]1CCN(CCCOc2c3[nH]c4ccc(F)cc4c3cc3c2[nH]c2ccc(F)cc23)C1
InChIInChI=1S/C25H24F2N4O/c26-14-2-4-21-17(10-14)19-12-20-18-11-15(27)3-5-22(18)30-24(20)25(23(19)29-21)32-9-1-7-31-8-6-16(28)13-31/h2-5,10-12,16,29-30H,1,6-9,13,28H2/t16-/m0/s1
InChIKeyXEPLTUDGYKTIEC-INIZCTEOSA-N
MW434.49 g/mol
LogP5.04
Rot. Bonds5

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

(3S)-1-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]pyrrolidin-3-amine (PubChem CID 59238912) has the molecular formula C25H24F2N4O and a molecular weight of 434.49 g/mol. Its IUPAC name is (3S)-1-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-1-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]pyrrolidin-3-amine
PubChem CID59238912
Molecular FormulaC25H24F2N4O
Molecular Weight434.49 g/mol
Exact Mass434.19
IUPAC Name(3S)-1-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]pyrrolidin-3-amine
SMILESN[C@H]1CCN(CCCOc2c3[nH]c4ccc(F)cc4c3cc3c2[nH]c2ccc(F)cc23)C1
InChIInChI=1S/C25H24F2N4O/c26-14-2-4-21-17(10-14)19-12-20-18-11-15(27)3-5-22(18)30-24(20)25(23(19)29-21)32-9-1-7-31-8-6-16(28)13-31/h2-5,10-12,16,29-30H,1,6-9,13,28H2/t16-/m0/s1
InChIKeyXEPLTUDGYKTIEC-INIZCTEOSA-N
XLogP5.04
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.49
LogP ≤ 55.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3S)-1-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]pyrrolidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]pyrrolidin-3-amine?
The IUPAC name of (3S)-1-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]pyrrolidin-3-amine (CID 59238912) is (3S)-1-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]pyrrolidin-3-amine.
What is the SMILES notation for (3S)-1-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]pyrrolidin-3-amine?
The canonical SMILES for (3S)-1-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]pyrrolidin-3-amine is N[C@H]1CCN(CCCOc2c3[nH]c4ccc(F)cc4c3cc3c2[nH]c2ccc(F)cc23)C1.
What is the InChIKey of (3S)-1-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]pyrrolidin-3-amine?
The InChIKey is XEPLTUDGYKTIEC-INIZCTEOSA-N. The full InChI is InChI=1S/C25H24F2N4O/c26-14-2-4-21-17(10-14)19-12-20-18-11-15(27)3-5-22(18)30-24(20)25(23(19)29-21)32-9-1-7-31-8-6-16(28)13-31/h2-5,10-12,16,29-30H,1,6-9,13,28H2/t16-/m0/s1.
What are the key properties of (3S)-1-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]pyrrolidin-3-amine?
(3S)-1-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]pyrrolidin-3-amine has a molecular weight of 434.49 g/mol, XLogP of 5.04, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]pyrrolidin-3-amine is sourced from PubChem (CID 59238912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).