3-[5-fluoro-1-[(4-fluorophenyl)methyl]indol-3-yl]-N-pyridin-4-ylpropanamide

C23H19F2N3O — CID 10739200

IUPAC3-[5-fluoro-1-[(4-fluorophenyl)methyl]indol-3-yl]-N-pyridin-4-ylpropanamide
SMILESO=C(CCc1cn(Cc2ccc(F)cc2)c2ccc(F)cc12)Nc1ccncc1
InChIInChI=1S/C23H19F2N3O/c24-18-4-1-16(2-5-18)14-28-15-17(21-13-19(25)6-7-22(21)28)3-8-23(29)27-20-9-11-26-12-10-20/h1-2,4-7,9-13,15H,3,8,14H2,(H,26,27,29)
InChIKeyDTBVITMDJKOHDB-UHFFFAOYSA-N
MW391.42 g/mol
LogP4.93
Rot. Bonds6

About 3-[5-fluoro-1-[(4-fluorophenyl)methyl]indol-3-yl]-N-pyridin-4-ylpropanamide

3-[5-fluoro-1-[(4-fluorophenyl)methyl]indol-3-yl]-N-pyridin-4-ylpropanamide (PubChem CID 10739200) has the molecular formula C23H19F2N3O and a molecular weight of 391.42 g/mol. Its IUPAC name is 3-[5-fluoro-1-[(4-fluorophenyl)methyl]indol-3-yl]-N-pyridin-4-ylpropanamide.

Molecular Properties

Compound Name3-[5-fluoro-1-[(4-fluorophenyl)methyl]indol-3-yl]-N-pyridin-4-ylpropanamide
PubChem CID10739200
Molecular FormulaC23H19F2N3O
Molecular Weight391.42 g/mol
Exact Mass391.15
IUPAC Name3-[5-fluoro-1-[(4-fluorophenyl)methyl]indol-3-yl]-N-pyridin-4-ylpropanamide
SMILESO=C(CCc1cn(Cc2ccc(F)cc2)c2ccc(F)cc12)Nc1ccncc1
InChIInChI=1S/C23H19F2N3O/c24-18-4-1-16(2-5-18)14-28-15-17(21-13-19(25)6-7-22(21)28)3-8-23(29)27-20-9-11-26-12-10-20/h1-2,4-7,9-13,15H,3,8,14H2,(H,26,27,29)
InChIKeyDTBVITMDJKOHDB-UHFFFAOYSA-N
XLogP4.93
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[5-fluoro-1-[(4-fluorophenyl)methyl]indol-3-yl]-N-pyridin-4-ylpropanamide 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 3-[5-fluoro-1-[(4-fluorophenyl)methyl]indol-3-yl]-N-pyridin-4-ylpropanamide?
The IUPAC name of 3-[5-fluoro-1-[(4-fluorophenyl)methyl]indol-3-yl]-N-pyridin-4-ylpropanamide (CID 10739200) is 3-[5-fluoro-1-[(4-fluorophenyl)methyl]indol-3-yl]-N-pyridin-4-ylpropanamide.
What is the SMILES notation for 3-[5-fluoro-1-[(4-fluorophenyl)methyl]indol-3-yl]-N-pyridin-4-ylpropanamide?
The canonical SMILES for 3-[5-fluoro-1-[(4-fluorophenyl)methyl]indol-3-yl]-N-pyridin-4-ylpropanamide is O=C(CCc1cn(Cc2ccc(F)cc2)c2ccc(F)cc12)Nc1ccncc1.
What is the InChIKey of 3-[5-fluoro-1-[(4-fluorophenyl)methyl]indol-3-yl]-N-pyridin-4-ylpropanamide?
The InChIKey is DTBVITMDJKOHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N3O/c24-18-4-1-16(2-5-18)14-28-15-17(21-13-19(25)6-7-22(21)28)3-8-23(29)27-20-9-11-26-12-10-20/h1-2,4-7,9-13,15H,3,8,14H2,(H,26,27,29).
What are the key properties of 3-[5-fluoro-1-[(4-fluorophenyl)methyl]indol-3-yl]-N-pyridin-4-ylpropanamide?
3-[5-fluoro-1-[(4-fluorophenyl)methyl]indol-3-yl]-N-pyridin-4-ylpropanamide has a molecular weight of 391.42 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-fluoro-1-[(4-fluorophenyl)methyl]indol-3-yl]-N-pyridin-4-ylpropanamide is sourced from PubChem (CID 10739200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).