N-(2-fluorophenyl)-2-[3-(3-phenylpropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-amine

C28H24FN3O — CID 59765139

IUPACN-(2-fluorophenyl)-2-[3-(3-phenylpropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-amine
SMILESFc1ccccc1Nc1ccnc2[nH]c(-c3cccc(OCCCc4ccccc4)c3)cc12
InChIInChI=1S/C28H24FN3O/c29-24-13-4-5-14-26(24)31-25-15-16-30-28-23(25)19-27(32-28)21-11-6-12-22(18-21)33-17-7-10-20-8-2-1-3-9-20/h1-6,8-9,11-16,18-19H,7,10,17H2,(H2,30,31,32)
InChIKeyKTTNASVPAVFPOG-UHFFFAOYSA-N
MW437.52 g/mol
LogP7.12
Rot. Bonds8

About N-(2-fluorophenyl)-2-[3-(3-phenylpropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-amine

N-(2-fluorophenyl)-2-[3-(3-phenylpropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-amine (PubChem CID 59765139) has the molecular formula C28H24FN3O and a molecular weight of 437.52 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[3-(3-phenylpropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-amine.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[3-(3-phenylpropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-amine
PubChem CID59765139
Molecular FormulaC28H24FN3O
Molecular Weight437.52 g/mol
Exact Mass437.19
IUPAC NameN-(2-fluorophenyl)-2-[3-(3-phenylpropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-amine
SMILESFc1ccccc1Nc1ccnc2[nH]c(-c3cccc(OCCCc4ccccc4)c3)cc12
InChIInChI=1S/C28H24FN3O/c29-24-13-4-5-14-26(24)31-25-15-16-30-28-23(25)19-27(32-28)21-11-6-12-22(18-21)33-17-7-10-20-8-2-1-3-9-20/h1-6,8-9,11-16,18-19H,7,10,17H2,(H2,30,31,32)
InChIKeyKTTNASVPAVFPOG-UHFFFAOYSA-N
XLogP7.12
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.52
LogP ≤ 57.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-fluorophenyl)-2-[3-(3-phenylpropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-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 N-(2-fluorophenyl)-2-[3-(3-phenylpropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-amine?
The IUPAC name of N-(2-fluorophenyl)-2-[3-(3-phenylpropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-amine (CID 59765139) is N-(2-fluorophenyl)-2-[3-(3-phenylpropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-amine.
What is the SMILES notation for N-(2-fluorophenyl)-2-[3-(3-phenylpropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-amine?
The canonical SMILES for N-(2-fluorophenyl)-2-[3-(3-phenylpropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-amine is Fc1ccccc1Nc1ccnc2[nH]c(-c3cccc(OCCCc4ccccc4)c3)cc12.
What is the InChIKey of N-(2-fluorophenyl)-2-[3-(3-phenylpropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-amine?
The InChIKey is KTTNASVPAVFPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24FN3O/c29-24-13-4-5-14-26(24)31-25-15-16-30-28-23(25)19-27(32-28)21-11-6-12-22(18-21)33-17-7-10-20-8-2-1-3-9-20/h1-6,8-9,11-16,18-19H,7,10,17H2,(H2,30,31,32).
What are the key properties of N-(2-fluorophenyl)-2-[3-(3-phenylpropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-amine?
N-(2-fluorophenyl)-2-[3-(3-phenylpropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-amine has a molecular weight of 437.52 g/mol, XLogP of 7.12, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[3-(3-phenylpropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-amine is sourced from PubChem (CID 59765139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).