2-[4-(5-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1H-pyrazol-3-yl]acetamide

C22H22F4N4O3 — CID 78427304

IUPAC2-[4-(5-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1H-pyrazol-3-yl]acetamide
SMILESCCOc1cc(-c2ccc(CC(=O)Nc3cc(C(C)(C)C(F)(F)F)[nH]n3)c(F)c2)c[nH]c1=O
InChIInChI=1S/C22H22F4N4O3/c1-4-33-16-8-14(11-27-20(16)32)12-5-6-13(15(23)7-12)9-19(31)28-18-10-17(29-30-18)21(2,3)22(24,25)26/h5-8,10-11H,4,9H2,1-3H3,(H,27,32)(H2,28,29,30,31)
InChIKeyFQSAICFZWAWFNY-UHFFFAOYSA-N
MW466.44 g/mol
LogP4.32
Rot. Bonds7

About 2-[4-(5-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1H-pyrazol-3-yl]acetamide

2-[4-(5-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1H-pyrazol-3-yl]acetamide (PubChem CID 78427304) has the molecular formula C22H22F4N4O3 and a molecular weight of 466.44 g/mol. Its IUPAC name is 2-[4-(5-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1H-pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[4-(5-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1H-pyrazol-3-yl]acetamide
PubChem CID78427304
Molecular FormulaC22H22F4N4O3
Molecular Weight466.44 g/mol
Exact Mass466.16
IUPAC Name2-[4-(5-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1H-pyrazol-3-yl]acetamide
SMILESCCOc1cc(-c2ccc(CC(=O)Nc3cc(C(C)(C)C(F)(F)F)[nH]n3)c(F)c2)c[nH]c1=O
InChIInChI=1S/C22H22F4N4O3/c1-4-33-16-8-14(11-27-20(16)32)12-5-6-13(15(23)7-12)9-19(31)28-18-10-17(29-30-18)21(2,3)22(24,25)26/h5-8,10-11H,4,9H2,1-3H3,(H,27,32)(H2,28,29,30,31)
InChIKeyFQSAICFZWAWFNY-UHFFFAOYSA-N
XLogP4.32
TPSA99.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.44
LogP ≤ 54.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1H-pyrazol-3-yl]acetamide?
The IUPAC name of 2-[4-(5-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1H-pyrazol-3-yl]acetamide (CID 78427304) is 2-[4-(5-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1H-pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-[4-(5-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1H-pyrazol-3-yl]acetamide?
The canonical SMILES for 2-[4-(5-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1H-pyrazol-3-yl]acetamide is CCOc1cc(-c2ccc(CC(=O)Nc3cc(C(C)(C)C(F)(F)F)[nH]n3)c(F)c2)c[nH]c1=O.
What is the InChIKey of 2-[4-(5-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1H-pyrazol-3-yl]acetamide?
The InChIKey is FQSAICFZWAWFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F4N4O3/c1-4-33-16-8-14(11-27-20(16)32)12-5-6-13(15(23)7-12)9-19(31)28-18-10-17(29-30-18)21(2,3)22(24,25)26/h5-8,10-11H,4,9H2,1-3H3,(H,27,32)(H2,28,29,30,31).
What are the key properties of 2-[4-(5-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1H-pyrazol-3-yl]acetamide?
2-[4-(5-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1H-pyrazol-3-yl]acetamide has a molecular weight of 466.44 g/mol, XLogP of 4.32, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1H-pyrazol-3-yl]acetamide is sourced from PubChem (CID 78427304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).