[6-(4-fluorophenyl)-2-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone

C21H18FNO4 — CID 155518956

IUPAC[6-(4-fluorophenyl)-2-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2cccc(-c3ccc(F)cc3)n2)cc(OC)c1OC
InChIInChI=1S/C21H18FNO4/c1-25-18-11-14(12-19(26-2)21(18)27-3)20(24)17-6-4-5-16(23-17)13-7-9-15(22)10-8-13/h4-12H,1-3H3
InChIKeyBSFQHPKQHBJTHR-UHFFFAOYSA-N
MW367.38 g/mol
LogP4.14
Rot. Bonds6

About [6-(4-fluorophenyl)-2-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone

[6-(4-fluorophenyl)-2-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 155518956) has the molecular formula C21H18FNO4 and a molecular weight of 367.38 g/mol. Its IUPAC name is [6-(4-fluorophenyl)-2-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[6-(4-fluorophenyl)-2-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID155518956
Molecular FormulaC21H18FNO4
Molecular Weight367.38 g/mol
Exact Mass367.12
IUPAC Name[6-(4-fluorophenyl)-2-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2cccc(-c3ccc(F)cc3)n2)cc(OC)c1OC
InChIInChI=1S/C21H18FNO4/c1-25-18-11-14(12-19(26-2)21(18)27-3)20(24)17-6-4-5-16(23-17)13-7-9-15(22)10-8-13/h4-12H,1-3H3
InChIKeyBSFQHPKQHBJTHR-UHFFFAOYSA-N
XLogP4.14
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [6-(4-fluorophenyl)-2-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone 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 [6-(4-fluorophenyl)-2-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [6-(4-fluorophenyl)-2-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone (CID 155518956) is [6-(4-fluorophenyl)-2-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [6-(4-fluorophenyl)-2-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [6-(4-fluorophenyl)-2-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2cccc(-c3ccc(F)cc3)n2)cc(OC)c1OC.
What is the InChIKey of [6-(4-fluorophenyl)-2-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is BSFQHPKQHBJTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FNO4/c1-25-18-11-14(12-19(26-2)21(18)27-3)20(24)17-6-4-5-16(23-17)13-7-9-15(22)10-8-13/h4-12H,1-3H3.
What are the key properties of [6-(4-fluorophenyl)-2-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone?
[6-(4-fluorophenyl)-2-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 367.38 g/mol, XLogP of 4.14, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-fluorophenyl)-2-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 155518956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).