4-[4-[6-(5-fluoro-3-pyridinyl)pyrazin-2-yl]benzoyl]piperazine-1-carboxylic acid

C21H18FN5O3 — CID 129053897

IUPAC4-[4-[6-(5-fluoro-3-pyridinyl)pyrazin-2-yl]benzoyl]piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(C(=O)c2ccc(-c3cncc(-c4cncc(F)c4)n3)cc2)CC1
InChIInChI=1S/C21H18FN5O3/c22-17-9-16(10-23-11-17)19-13-24-12-18(25-19)14-1-3-15(4-2-14)20(28)26-5-7-27(8-6-26)21(29)30/h1-4,9-13H,5-8H2,(H,29,30)
InChIKeyZOOBMHDUMWQVIU-UHFFFAOYSA-N
MW407.41 g/mol
LogP2.78
Rot. Bonds3

About 4-[4-[6-(5-fluoro-3-pyridinyl)pyrazin-2-yl]benzoyl]piperazine-1-carboxylic acid

4-[4-[6-(5-fluoro-3-pyridinyl)pyrazin-2-yl]benzoyl]piperazine-1-carboxylic acid (PubChem CID 129053897) has the molecular formula C21H18FN5O3 and a molecular weight of 407.41 g/mol. Its IUPAC name is 4-[4-[6-(5-fluoro-3-pyridinyl)pyrazin-2-yl]benzoyl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[4-[6-(5-fluoro-3-pyridinyl)pyrazin-2-yl]benzoyl]piperazine-1-carboxylic acid
PubChem CID129053897
Molecular FormulaC21H18FN5O3
Molecular Weight407.41 g/mol
Exact Mass407.14
IUPAC Name4-[4-[6-(5-fluoro-3-pyridinyl)pyrazin-2-yl]benzoyl]piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(C(=O)c2ccc(-c3cncc(-c4cncc(F)c4)n3)cc2)CC1
InChIInChI=1S/C21H18FN5O3/c22-17-9-16(10-23-11-17)19-13-24-12-18(25-19)14-1-3-15(4-2-14)20(28)26-5-7-27(8-6-26)21(29)30/h1-4,9-13H,5-8H2,(H,29,30)
InChIKeyZOOBMHDUMWQVIU-UHFFFAOYSA-N
XLogP2.78
TPSA99.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.41
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[4-[6-(5-fluoro-3-pyridinyl)pyrazin-2-yl]benzoyl]piperazine-1-carboxylic acid with MolForge

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

Launch Full Analysis

Related Compounds

4-(4-fluorobenzoyl)-1,4-diazepane-1-carboxylic acid
CID 67493364
(4,4-difluoropiperidin-1-yl)-[4-[6-(dimethylamino)pyrazin-2-yl]phenyl]methanone
CID 122563535
4-(6-aminopyridine-3-carbonyl)piperazine-1-carboxylic acid
CID 86641079
[4-(4-fluorophenyl)piperazin-1-yl]-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanone
CID 50828762
[4-[6-(4-fluorophenyl)pyrimidin-4-yl]piperazin-1-yl]-(4-iodophenyl)methanone
CID 121107340
[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 36505256
(4-methylpiperazin-1-yl)-[4-[6-(2-phenylpentyl)pyrazin-2-yl]phenyl]methanone
CID 58496597
(4-cyclopentylpiperazin-1-yl)-(5-fluoro-3-pyridinyl)methanone
CID 121184691
4-(6-phenylpyridine-3-carbonyl)piperazine-1-carbaldehyde
CID 110683635
[4-(6-fluoroquinazolin-2-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone
CID 118621615
(4-ethylpiperazin-1-yl)-[5-(3-fluorophenyl)-3-pyridinyl]methanone
CID 46032886
4-(4-fluorobenzoyl)piperazine-1-carbaldehyde
CID 2876745

Frequently Asked Questions

What is the IUPAC name of 4-[4-[6-(5-fluoro-3-pyridinyl)pyrazin-2-yl]benzoyl]piperazine-1-carboxylic acid?
The IUPAC name of 4-[4-[6-(5-fluoro-3-pyridinyl)pyrazin-2-yl]benzoyl]piperazine-1-carboxylic acid (CID 129053897) is 4-[4-[6-(5-fluoro-3-pyridinyl)pyrazin-2-yl]benzoyl]piperazine-1-carboxylic acid.
What is the SMILES notation for 4-[4-[6-(5-fluoro-3-pyridinyl)pyrazin-2-yl]benzoyl]piperazine-1-carboxylic acid?
The canonical SMILES for 4-[4-[6-(5-fluoro-3-pyridinyl)pyrazin-2-yl]benzoyl]piperazine-1-carboxylic acid is O=C(O)N1CCN(C(=O)c2ccc(-c3cncc(-c4cncc(F)c4)n3)cc2)CC1.
What is the InChIKey of 4-[4-[6-(5-fluoro-3-pyridinyl)pyrazin-2-yl]benzoyl]piperazine-1-carboxylic acid?
The InChIKey is ZOOBMHDUMWQVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O3/c22-17-9-16(10-23-11-17)19-13-24-12-18(25-19)14-1-3-15(4-2-14)20(28)26-5-7-27(8-6-26)21(29)30/h1-4,9-13H,5-8H2,(H,29,30).
What are the key properties of 4-[4-[6-(5-fluoro-3-pyridinyl)pyrazin-2-yl]benzoyl]piperazine-1-carboxylic acid?
4-[4-[6-(5-fluoro-3-pyridinyl)pyrazin-2-yl]benzoyl]piperazine-1-carboxylic acid has a molecular weight of 407.41 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[6-(5-fluoro-3-pyridinyl)pyrazin-2-yl]benzoyl]piperazine-1-carboxylic acid is sourced from PubChem (CID 129053897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).