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

C23H24F2N4O2 — CID 25451951

IUPAC3-fluoro-N-[2-[1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESCOc1ccc(CN2CCC(n3nccc3NC(=O)c3cccc(F)c3)CC2)c(F)c1
InChIInChI=1S/C23H24F2N4O2/c1-31-20-6-5-17(21(25)14-20)15-28-11-8-19(9-12-28)29-22(7-10-26-29)27-23(30)16-3-2-4-18(24)13-16/h2-7,10,13-14,19H,8-9,11-12,15H2,1H3,(H,27,30)
InChIKeyCWESQXROJNWEJL-UHFFFAOYSA-N
MW426.47 g/mol
LogP4.26
Rot. Bonds6

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

3-fluoro-N-[2-[1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide (PubChem CID 25451951) has the molecular formula C23H24F2N4O2 and a molecular weight of 426.47 g/mol. Its IUPAC name is 3-fluoro-N-[2-[1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-[1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
PubChem CID25451951
Molecular FormulaC23H24F2N4O2
Molecular Weight426.47 g/mol
Exact Mass426.19
IUPAC Name3-fluoro-N-[2-[1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESCOc1ccc(CN2CCC(n3nccc3NC(=O)c3cccc(F)c3)CC2)c(F)c1
InChIInChI=1S/C23H24F2N4O2/c1-31-20-6-5-17(21(25)14-20)15-28-11-8-19(9-12-28)29-22(7-10-26-29)27-23(30)16-3-2-4-18(24)13-16/h2-7,10,13-14,19H,8-9,11-12,15H2,1H3,(H,27,30)
InChIKeyCWESQXROJNWEJL-UHFFFAOYSA-N
XLogP4.26
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-[1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
The IUPAC name of 3-fluoro-N-[2-[1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide (CID 25451951) is 3-fluoro-N-[2-[1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide.
What is the SMILES notation for 3-fluoro-N-[2-[1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
The canonical SMILES for 3-fluoro-N-[2-[1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide is COc1ccc(CN2CCC(n3nccc3NC(=O)c3cccc(F)c3)CC2)c(F)c1.
What is the InChIKey of 3-fluoro-N-[2-[1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
The InChIKey is CWESQXROJNWEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N4O2/c1-31-20-6-5-17(21(25)14-20)15-28-11-8-19(9-12-28)29-22(7-10-26-29)27-23(30)16-3-2-4-18(24)13-16/h2-7,10,13-14,19H,8-9,11-12,15H2,1H3,(H,27,30).
What are the key properties of 3-fluoro-N-[2-[1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
3-fluoro-N-[2-[1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide has a molecular weight of 426.47 g/mol, XLogP of 4.26, 6 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-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 25451951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).