N-[4-[3-(4-fluorophenyl)-1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2-pyridinyl]-2-methoxyacetamide

C24H20F2N4O2 — CID 90465171

About N-[4-[3-(4-fluorophenyl)-1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2-pyridinyl]-2-methoxyacetamide

N-[4-[3-(4-fluorophenyl)-1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2-pyridinyl]-2-methoxyacetamide (PubChem CID 90465171) has the molecular formula C24H20F2N4O2 and a molecular weight of 434.45 g/mol. Its IUPAC name is N-[4-[3-(4-fluorophenyl)-1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2-pyridinyl]-2-methoxyacetamide.

Molecular Properties

• Compound Name: N-[4-[3-(4-fluorophenyl)-1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2-pyridinyl]-2-methoxyacetamide
• PubChem CID: 90465171
• Molecular Formula: C24H20F2N4O2
• Molecular Weight: 434.45 g/mol
• Exact Mass: 434.16
• IUPAC Name: N-[4-[3-(4-fluorophenyl)-1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2-pyridinyl]-2-methoxyacetamide
• SMILES: COCC(=O)Nc1cc(-c2cn(Cc3ccccc3F)nc2-c2ccc(F)cc2)ccn1
• InChI: InChI=1S/C24H20F2N4O2/c1-32-15-23(31)28-22-12-17(10-11-27-22)20-14-30(13-18-4-2-3-5-21(18)26)29-24(20)16-6-8-19(25)9-7-16/h2-12,14H,13,15H2,1H3,(H,27,28,31)
• InChIKey: QNZQOSVXLCHVGU-UHFFFAOYSA-N
• XLogP: 4.52
• TPSA: 69.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.45
LogP ≤ 5	4.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(4-fluorophenyl)-1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2-pyridinyl]-2-methoxyacetamide?

The IUPAC name of N-[4-[3-(4-fluorophenyl)-1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2-pyridinyl]-2-methoxyacetamide (CID 90465171) is N-[4-[3-(4-fluorophenyl)-1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2-pyridinyl]-2-methoxyacetamide.

What is the SMILES notation for N-[4-[3-(4-fluorophenyl)-1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2-pyridinyl]-2-methoxyacetamide?

The canonical SMILES for N-[4-[3-(4-fluorophenyl)-1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2-pyridinyl]-2-methoxyacetamide is COCC(=O)Nc1cc(-c2cn(Cc3ccccc3F)nc2-c2ccc(F)cc2)ccn1.

What is the InChIKey of N-[4-[3-(4-fluorophenyl)-1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2-pyridinyl]-2-methoxyacetamide?

The InChIKey is QNZQOSVXLCHVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N4O2/c1-32-15-23(31)28-22-12-17(10-11-27-22)20-14-30(13-18-4-2-3-5-21(18)26)29-24(20)16-6-8-19(25)9-7-16/h2-12,14H,13,15H2,1H3,(H,27,28,31).

What are the key properties of N-[4-[3-(4-fluorophenyl)-1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2-pyridinyl]-2-methoxyacetamide?

N-[4-[3-(4-fluorophenyl)-1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2-pyridinyl]-2-methoxyacetamide has a molecular weight of 434.45 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[3-(4-fluorophenyl)-1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2-pyridinyl]-2-methoxyacetamide is sourced from PubChem (CID 90465171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).