2-fluoro-N-[[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]benzamide

C21H22FN5O — CID 53181032

IUPAC2-fluoro-N-[[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]benzamide
SMILESO=C(NCC1CCN(c2cc(-c3ccncc3)[nH]n2)CC1)c1ccccc1F
InChIInChI=1S/C21H22FN5O/c22-18-4-2-1-3-17(18)21(28)24-14-15-7-11-27(12-8-15)20-13-19(25-26-20)16-5-9-23-10-6-16/h1-6,9-10,13,15H,7-8,11-12,14H2,(H,24,28)(H,25,26)
InChIKeyUJSJEHRNEQCJJS-UHFFFAOYSA-N
MW379.44 g/mol
LogP3.26
Rot. Bonds5

About 2-fluoro-N-[[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]benzamide

2-fluoro-N-[[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]benzamide (PubChem CID 53181032) has the molecular formula C21H22FN5O and a molecular weight of 379.44 g/mol. Its IUPAC name is 2-fluoro-N-[[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]benzamide
PubChem CID53181032
Molecular FormulaC21H22FN5O
Molecular Weight379.44 g/mol
Exact Mass379.18
IUPAC Name2-fluoro-N-[[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]benzamide
SMILESO=C(NCC1CCN(c2cc(-c3ccncc3)[nH]n2)CC1)c1ccccc1F
InChIInChI=1S/C21H22FN5O/c22-18-4-2-1-3-17(18)21(28)24-14-15-7-11-27(12-8-15)20-13-19(25-26-20)16-5-9-23-10-6-16/h1-6,9-10,13,15H,7-8,11-12,14H2,(H,24,28)(H,25,26)
InChIKeyUJSJEHRNEQCJJS-UHFFFAOYSA-N
XLogP3.26
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]benzamide?
The IUPAC name of 2-fluoro-N-[[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]benzamide (CID 53181032) is 2-fluoro-N-[[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]benzamide?
The canonical SMILES for 2-fluoro-N-[[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]benzamide is O=C(NCC1CCN(c2cc(-c3ccncc3)[nH]n2)CC1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]benzamide?
The InChIKey is UJSJEHRNEQCJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O/c22-18-4-2-1-3-17(18)21(28)24-14-15-7-11-27(12-8-15)20-13-19(25-26-20)16-5-9-23-10-6-16/h1-6,9-10,13,15H,7-8,11-12,14H2,(H,24,28)(H,25,26).
What are the key properties of 2-fluoro-N-[[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]benzamide?
2-fluoro-N-[[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]benzamide has a molecular weight of 379.44 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]benzamide is sourced from PubChem (CID 53181032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).