3-fluoro-N-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide

C21H22FN5O — CID 24816887

IUPAC3-fluoro-N-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESO=C(Nc1ccnn1C1CCN(Cc2ccccn2)CC1)c1cccc(F)c1
InChIInChI=1S/C21H22FN5O/c22-17-5-3-4-16(14-17)21(28)25-20-7-11-24-27(20)19-8-12-26(13-9-19)15-18-6-1-2-10-23-18/h1-7,10-11,14,19H,8-9,12-13,15H2,(H,25,28)
InChIKeyWNEBNCCEPXGQOV-UHFFFAOYSA-N
MW379.44 g/mol
LogP3.51
Rot. Bonds5

About 3-fluoro-N-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide

3-fluoro-N-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide (PubChem CID 24816887) has the molecular formula C21H22FN5O and a molecular weight of 379.44 g/mol. Its IUPAC name is 3-fluoro-N-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide
PubChem CID24816887
Molecular FormulaC21H22FN5O
Molecular Weight379.44 g/mol
Exact Mass379.18
IUPAC Name3-fluoro-N-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESO=C(Nc1ccnn1C1CCN(Cc2ccccn2)CC1)c1cccc(F)c1
InChIInChI=1S/C21H22FN5O/c22-17-5-3-4-16(14-17)21(28)25-20-7-11-24-27(20)19-8-12-26(13-9-19)15-18-6-1-2-10-23-18/h1-7,10-11,14,19H,8-9,12-13,15H2,(H,25,28)
InChIKeyWNEBNCCEPXGQOV-UHFFFAOYSA-N
XLogP3.51
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-fluoro-N-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide 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-fluoro-N-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide?
The IUPAC name of 3-fluoro-N-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide (CID 24816887) is 3-fluoro-N-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide.
What is the SMILES notation for 3-fluoro-N-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide?
The canonical SMILES for 3-fluoro-N-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide is O=C(Nc1ccnn1C1CCN(Cc2ccccn2)CC1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide?
The InChIKey is WNEBNCCEPXGQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O/c22-17-5-3-4-16(14-17)21(28)25-20-7-11-24-27(20)19-8-12-26(13-9-19)15-18-6-1-2-10-23-18/h1-7,10-11,14,19H,8-9,12-13,15H2,(H,25,28).
What are the key properties of 3-fluoro-N-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide?
3-fluoro-N-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide has a molecular weight of 379.44 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 24816887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).