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

C21H20FN5O2 — CID 90465219

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

N-[4-[1-(1-cyanopropan-2-yl)-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]-2-methoxyacetamide (PubChem CID 90465219) has the molecular formula C21H20FN5O2 and a molecular weight of 393.42 g/mol. Its IUPAC name is N-[4-[1-(1-cyanopropan-2-yl)-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]-2-methoxyacetamide.

Molecular Properties

• Compound Name: N-[4-[1-(1-cyanopropan-2-yl)-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]-2-methoxyacetamide
• PubChem CID: 90465219
• Molecular Formula: C21H20FN5O2
• Molecular Weight: 393.42 g/mol
• Exact Mass: 393.16
• IUPAC Name: N-[4-[1-(1-cyanopropan-2-yl)-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]-2-methoxyacetamide
• SMILES: COCC(=O)Nc1cc(-c2cn(C(C)CC#N)nc2-c2ccc(F)cc2)ccn1
• InChI: InChI=1S/C21H20FN5O2/c1-14(7-9-23)27-12-18(21(26-27)15-3-5-17(22)6-4-15)16-8-10-24-19(11-16)25-20(28)13-29-2/h3-6,8,10-12,14H,7,13H2,1-2H3,(H,24,25,28)
• InChIKey: WJFAHUNPBZDSAI-UHFFFAOYSA-N
• XLogP: 3.81
• TPSA: 92.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.42
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[4-[1-(1-cyanopropan-2-yl)-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]-2-methoxyacetamide (CID 90465219) is N-[4-[1-(1-cyanopropan-2-yl)-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]-2-methoxyacetamide.

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

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

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

The InChIKey is WJFAHUNPBZDSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O2/c1-14(7-9-23)27-12-18(21(26-27)15-3-5-17(22)6-4-15)16-8-10-24-19(11-16)25-20(28)13-29-2/h3-6,8,10-12,14H,7,13H2,1-2H3,(H,24,25,28).

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

N-[4-[1-(1-cyanopropan-2-yl)-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]-2-methoxyacetamide has a molecular weight of 393.42 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[1-(1-cyanopropan-2-yl)-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]-2-methoxyacetamide is sourced from PubChem (CID 90465219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).