1-(5-cyclopropyl-2-pyridinyl)-4-[1-(6-fluoro-4-methyl-3-pyridinyl)ethenyl]piperazine

C20H23FN4 — CID 131995639

IUPAC1-(5-cyclopropyl-2-pyridinyl)-4-[1-(6-fluoro-4-methyl-3-pyridinyl)ethenyl]piperazine
SMILESC=C(c1cnc(F)cc1C)N1CCN(c2ccc(C3CC3)cn2)CC1
InChIInChI=1S/C20H23FN4/c1-14-11-19(21)22-13-18(14)15(2)24-7-9-25(10-8-24)20-6-5-17(12-23-20)16-3-4-16/h5-6,11-13,16H,2-4,7-10H2,1H3
InChIKeyPAARGWDVIPZYDP-UHFFFAOYSA-N
MW338.43 g/mol
LogP3.59
Rot. Bonds4

About 1-(5-cyclopropyl-2-pyridinyl)-4-[1-(6-fluoro-4-methyl-3-pyridinyl)ethenyl]piperazine

1-(5-cyclopropyl-2-pyridinyl)-4-[1-(6-fluoro-4-methyl-3-pyridinyl)ethenyl]piperazine (PubChem CID 131995639) has the molecular formula C20H23FN4 and a molecular weight of 338.43 g/mol. Its IUPAC name is 1-(5-cyclopropyl-2-pyridinyl)-4-[1-(6-fluoro-4-methyl-3-pyridinyl)ethenyl]piperazine.

Molecular Properties

Compound Name1-(5-cyclopropyl-2-pyridinyl)-4-[1-(6-fluoro-4-methyl-3-pyridinyl)ethenyl]piperazine
PubChem CID131995639
Molecular FormulaC20H23FN4
Molecular Weight338.43 g/mol
Exact Mass338.19
IUPAC Name1-(5-cyclopropyl-2-pyridinyl)-4-[1-(6-fluoro-4-methyl-3-pyridinyl)ethenyl]piperazine
SMILESC=C(c1cnc(F)cc1C)N1CCN(c2ccc(C3CC3)cn2)CC1
InChIInChI=1S/C20H23FN4/c1-14-11-19(21)22-13-18(14)15(2)24-7-9-25(10-8-24)20-6-5-17(12-23-20)16-3-4-16/h5-6,11-13,16H,2-4,7-10H2,1H3
InChIKeyPAARGWDVIPZYDP-UHFFFAOYSA-N
XLogP3.59
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 1-(5-cyclopropyl-2-pyridinyl)-4-[1-(6-fluoro-4-methyl-3-pyridinyl)ethenyl]piperazine 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 1-(5-cyclopropyl-2-pyridinyl)-4-[1-(6-fluoro-4-methyl-3-pyridinyl)ethenyl]piperazine?
The IUPAC name of 1-(5-cyclopropyl-2-pyridinyl)-4-[1-(6-fluoro-4-methyl-3-pyridinyl)ethenyl]piperazine (CID 131995639) is 1-(5-cyclopropyl-2-pyridinyl)-4-[1-(6-fluoro-4-methyl-3-pyridinyl)ethenyl]piperazine.
What is the SMILES notation for 1-(5-cyclopropyl-2-pyridinyl)-4-[1-(6-fluoro-4-methyl-3-pyridinyl)ethenyl]piperazine?
The canonical SMILES for 1-(5-cyclopropyl-2-pyridinyl)-4-[1-(6-fluoro-4-methyl-3-pyridinyl)ethenyl]piperazine is C=C(c1cnc(F)cc1C)N1CCN(c2ccc(C3CC3)cn2)CC1.
What is the InChIKey of 1-(5-cyclopropyl-2-pyridinyl)-4-[1-(6-fluoro-4-methyl-3-pyridinyl)ethenyl]piperazine?
The InChIKey is PAARGWDVIPZYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4/c1-14-11-19(21)22-13-18(14)15(2)24-7-9-25(10-8-24)20-6-5-17(12-23-20)16-3-4-16/h5-6,11-13,16H,2-4,7-10H2,1H3.
What are the key properties of 1-(5-cyclopropyl-2-pyridinyl)-4-[1-(6-fluoro-4-methyl-3-pyridinyl)ethenyl]piperazine?
1-(5-cyclopropyl-2-pyridinyl)-4-[1-(6-fluoro-4-methyl-3-pyridinyl)ethenyl]piperazine has a molecular weight of 338.43 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclopropyl-2-pyridinyl)-4-[1-(6-fluoro-4-methyl-3-pyridinyl)ethenyl]piperazine is sourced from PubChem (CID 131995639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).