2-fluoro-6-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]benzamide

C24H20F2N4O2 — CID 135137947

About 2-fluoro-6-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]benzamide

2-fluoro-6-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]benzamide (PubChem CID 135137947) has the molecular formula C24H20F2N4O2 and a molecular weight of 434.45 g/mol. Its IUPAC name is 2-fluoro-6-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]benzamide.

Molecular Properties

• Compound Name: 2-fluoro-6-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]benzamide
• PubChem CID: 135137947
• Molecular Formula: C24H20F2N4O2
• Molecular Weight: 434.45 g/mol
• Exact Mass: 434.16
• IUPAC Name: 2-fluoro-6-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]benzamide
• SMILES: O=C(N[C@@H](CO)Cc1ccccn1)c1c(F)cccc1-c1cc(-c2ccc(F)cc2)n[nH]1
• InChI: InChI=1S/C24H20F2N4O2/c25-16-9-7-15(8-10-16)21-13-22(30-29-21)19-5-3-6-20(26)23(19)24(32)28-18(14-31)12-17-4-1-2-11-27-17/h1-11,13,18,31H,12,14H2,(H,28,32)(H,29,30)/t18-/m1/s1
• InChIKey: PXGRIIBCUHKJEE-GOSISDBHSA-N
• XLogP: 3.75
• TPSA: 90.90 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.45
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]benzamide?

The IUPAC name of 2-fluoro-6-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]benzamide (CID 135137947) is 2-fluoro-6-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]benzamide.

What is the SMILES notation for 2-fluoro-6-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]benzamide?

The canonical SMILES for 2-fluoro-6-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]benzamide is O=C(N[C@@H](CO)Cc1ccccn1)c1c(F)cccc1-c1cc(-c2ccc(F)cc2)n[nH]1.

What is the InChIKey of 2-fluoro-6-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]benzamide?

The InChIKey is PXGRIIBCUHKJEE-GOSISDBHSA-N. The full InChI is InChI=1S/C24H20F2N4O2/c25-16-9-7-15(8-10-16)21-13-22(30-29-21)19-5-3-6-20(26)23(19)24(32)28-18(14-31)12-17-4-1-2-11-27-17/h1-11,13,18,31H,12,14H2,(H,28,32)(H,29,30)/t18-/m1/s1.

What are the key properties of 2-fluoro-6-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]benzamide?

2-fluoro-6-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]benzamide has a molecular weight of 434.45 g/mol, XLogP of 3.75, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-fluoro-6-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]benzamide is sourced from PubChem (CID 135137947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).