3-[6-[(5-fluoro-6-methoxy-2-phenyl-1H-indol-3-yl)methyl]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one

C23H17FN4O3 — CID 136601941

IUPAC3-[6-[(5-fluoro-6-methoxy-2-phenyl-1H-indol-3-yl)methyl]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one
SMILESCOc1cc2[nH]c(-c3ccccc3)c(Cc3cccc(-c4noc(=O)[nH]4)n3)c2cc1F
InChIInChI=1S/C23H17FN4O3/c1-30-20-12-19-15(11-17(20)24)16(21(26-19)13-6-3-2-4-7-13)10-14-8-5-9-18(25-14)22-27-23(29)31-28-22/h2-9,11-12,26H,10H2,1H3,(H,27,28,29)
InChIKeyANTJZYSJQNTUAA-UHFFFAOYSA-N
MW416.41 g/mol
LogP4.31
Rot. Bonds5

About 3-[6-[(5-fluoro-6-methoxy-2-phenyl-1H-indol-3-yl)methyl]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one

3-[6-[(5-fluoro-6-methoxy-2-phenyl-1H-indol-3-yl)methyl]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one (PubChem CID 136601941) has the molecular formula C23H17FN4O3 and a molecular weight of 416.41 g/mol. Its IUPAC name is 3-[6-[(5-fluoro-6-methoxy-2-phenyl-1H-indol-3-yl)methyl]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name3-[6-[(5-fluoro-6-methoxy-2-phenyl-1H-indol-3-yl)methyl]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one
PubChem CID136601941
Molecular FormulaC23H17FN4O3
Molecular Weight416.41 g/mol
Exact Mass416.13
IUPAC Name3-[6-[(5-fluoro-6-methoxy-2-phenyl-1H-indol-3-yl)methyl]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one
SMILESCOc1cc2[nH]c(-c3ccccc3)c(Cc3cccc(-c4noc(=O)[nH]4)n3)c2cc1F
InChIInChI=1S/C23H17FN4O3/c1-30-20-12-19-15(11-17(20)24)16(21(26-19)13-6-3-2-4-7-13)10-14-8-5-9-18(25-14)22-27-23(29)31-28-22/h2-9,11-12,26H,10H2,1H3,(H,27,28,29)
InChIKeyANTJZYSJQNTUAA-UHFFFAOYSA-N
XLogP4.31
TPSA96.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.41
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[6-[(5-fluoro-6-methoxy-2-phenyl-1H-indol-3-yl)methyl]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one 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-[6-[(5-fluoro-6-methoxy-2-phenyl-1H-indol-3-yl)methyl]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one?
The IUPAC name of 3-[6-[(5-fluoro-6-methoxy-2-phenyl-1H-indol-3-yl)methyl]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one (CID 136601941) is 3-[6-[(5-fluoro-6-methoxy-2-phenyl-1H-indol-3-yl)methyl]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 3-[6-[(5-fluoro-6-methoxy-2-phenyl-1H-indol-3-yl)methyl]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one?
The canonical SMILES for 3-[6-[(5-fluoro-6-methoxy-2-phenyl-1H-indol-3-yl)methyl]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one is COc1cc2[nH]c(-c3ccccc3)c(Cc3cccc(-c4noc(=O)[nH]4)n3)c2cc1F.
What is the InChIKey of 3-[6-[(5-fluoro-6-methoxy-2-phenyl-1H-indol-3-yl)methyl]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one?
The InChIKey is ANTJZYSJQNTUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN4O3/c1-30-20-12-19-15(11-17(20)24)16(21(26-19)13-6-3-2-4-7-13)10-14-8-5-9-18(25-14)22-27-23(29)31-28-22/h2-9,11-12,26H,10H2,1H3,(H,27,28,29).
What are the key properties of 3-[6-[(5-fluoro-6-methoxy-2-phenyl-1H-indol-3-yl)methyl]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one?
3-[6-[(5-fluoro-6-methoxy-2-phenyl-1H-indol-3-yl)methyl]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one has a molecular weight of 416.41 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[(5-fluoro-6-methoxy-2-phenyl-1H-indol-3-yl)methyl]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 136601941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).