2-[4-[(3-acetyl-2-pyridinyl)oxy]-3-fluorophenyl]-N-(5-pyrazin-2-yl-4H-pyrazol-3-yl)acetamide

C22H17FN6O3 — CID 164607384

IUPAC2-[4-[(3-acetyl-2-pyridinyl)oxy]-3-fluorophenyl]-N-(5-pyrazin-2-yl-4H-pyrazol-3-yl)acetamide
SMILESCC(=O)c1cccnc1Oc1ccc(CC(=O)NC2=NN=C(c3cnccn3)C2)cc1F
InChIInChI=1S/C22H17FN6O3/c1-13(30)15-3-2-6-26-22(15)32-19-5-4-14(9-16(19)23)10-21(31)27-20-11-17(28-29-20)18-12-24-7-8-25-18/h2-9,12H,10-11H2,1H3,(H,27,29,31)
InChIKeyHAPRJTHAGHAMFT-UHFFFAOYSA-N
MW432.42 g/mol
LogP2.87
Rot. Bonds6

About 2-[4-[(3-acetyl-2-pyridinyl)oxy]-3-fluorophenyl]-N-(5-pyrazin-2-yl-4H-pyrazol-3-yl)acetamide

2-[4-[(3-acetyl-2-pyridinyl)oxy]-3-fluorophenyl]-N-(5-pyrazin-2-yl-4H-pyrazol-3-yl)acetamide (PubChem CID 164607384) has the molecular formula C22H17FN6O3 and a molecular weight of 432.42 g/mol. Its IUPAC name is 2-[4-[(3-acetyl-2-pyridinyl)oxy]-3-fluorophenyl]-N-(5-pyrazin-2-yl-4H-pyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[4-[(3-acetyl-2-pyridinyl)oxy]-3-fluorophenyl]-N-(5-pyrazin-2-yl-4H-pyrazol-3-yl)acetamide
PubChem CID164607384
Molecular FormulaC22H17FN6O3
Molecular Weight432.42 g/mol
Exact Mass432.13
IUPAC Name2-[4-[(3-acetyl-2-pyridinyl)oxy]-3-fluorophenyl]-N-(5-pyrazin-2-yl-4H-pyrazol-3-yl)acetamide
SMILESCC(=O)c1cccnc1Oc1ccc(CC(=O)NC2=NN=C(c3cnccn3)C2)cc1F
InChIInChI=1S/C22H17FN6O3/c1-13(30)15-3-2-6-26-22(15)32-19-5-4-14(9-16(19)23)10-21(31)27-20-11-17(28-29-20)18-12-24-7-8-25-18/h2-9,12H,10-11H2,1H3,(H,27,29,31)
InChIKeyHAPRJTHAGHAMFT-UHFFFAOYSA-N
XLogP2.87
TPSA118.79 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.42
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-acetyl-2-pyridinyl)oxy]-3-fluorophenyl]-N-(5-pyrazin-2-yl-4H-pyrazol-3-yl)acetamide?
The IUPAC name of 2-[4-[(3-acetyl-2-pyridinyl)oxy]-3-fluorophenyl]-N-(5-pyrazin-2-yl-4H-pyrazol-3-yl)acetamide (CID 164607384) is 2-[4-[(3-acetyl-2-pyridinyl)oxy]-3-fluorophenyl]-N-(5-pyrazin-2-yl-4H-pyrazol-3-yl)acetamide.
What is the SMILES notation for 2-[4-[(3-acetyl-2-pyridinyl)oxy]-3-fluorophenyl]-N-(5-pyrazin-2-yl-4H-pyrazol-3-yl)acetamide?
The canonical SMILES for 2-[4-[(3-acetyl-2-pyridinyl)oxy]-3-fluorophenyl]-N-(5-pyrazin-2-yl-4H-pyrazol-3-yl)acetamide is CC(=O)c1cccnc1Oc1ccc(CC(=O)NC2=NN=C(c3cnccn3)C2)cc1F.
What is the InChIKey of 2-[4-[(3-acetyl-2-pyridinyl)oxy]-3-fluorophenyl]-N-(5-pyrazin-2-yl-4H-pyrazol-3-yl)acetamide?
The InChIKey is HAPRJTHAGHAMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN6O3/c1-13(30)15-3-2-6-26-22(15)32-19-5-4-14(9-16(19)23)10-21(31)27-20-11-17(28-29-20)18-12-24-7-8-25-18/h2-9,12H,10-11H2,1H3,(H,27,29,31).
What are the key properties of 2-[4-[(3-acetyl-2-pyridinyl)oxy]-3-fluorophenyl]-N-(5-pyrazin-2-yl-4H-pyrazol-3-yl)acetamide?
2-[4-[(3-acetyl-2-pyridinyl)oxy]-3-fluorophenyl]-N-(5-pyrazin-2-yl-4H-pyrazol-3-yl)acetamide has a molecular weight of 432.42 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-acetyl-2-pyridinyl)oxy]-3-fluorophenyl]-N-(5-pyrazin-2-yl-4H-pyrazol-3-yl)acetamide is sourced from PubChem (CID 164607384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).