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

C23H25ClF4N4O3 — CID 90423223

IUPAC2-[4-(5-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-N-[1-methyl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazol-5-yl]acetamide;hydrochloride
SMILESCCOc1cc(-c2ccc(CC(=O)Nc3cc(C(C)(C)C(F)(F)F)nn3C)c(F)c2)c[nH]c1=O.Cl
InChIInChI=1S/C23H24F4N4O3.ClH/c1-5-34-17-9-15(12-28-21(17)33)13-6-7-14(16(24)8-13)10-20(32)29-19-11-18(30-31(19)4)22(2,3)23(25,26)27;/h6-9,11-12H,5,10H2,1-4H3,(H,28,33)(H,29,32);1H
InChIKeyCUNSMPFRMGIYGF-UHFFFAOYSA-N
MW516.92 g/mol
LogP4.76
Rot. Bonds7

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

2-[4-(5-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-N-[1-methyl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazol-5-yl]acetamide;hydrochloride (PubChem CID 90423223) has the molecular formula C23H25ClF4N4O3 and a molecular weight of 516.92 g/mol. Its IUPAC name is 2-[4-(5-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-N-[1-methyl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazol-5-yl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-[4-(5-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-N-[1-methyl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazol-5-yl]acetamide;hydrochloride
PubChem CID90423223
Molecular FormulaC23H25ClF4N4O3
Molecular Weight516.92 g/mol
Exact Mass516.16
IUPAC Name2-[4-(5-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-N-[1-methyl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazol-5-yl]acetamide;hydrochloride
SMILESCCOc1cc(-c2ccc(CC(=O)Nc3cc(C(C)(C)C(F)(F)F)nn3C)c(F)c2)c[nH]c1=O.Cl
InChIInChI=1S/C23H24F4N4O3.ClH/c1-5-34-17-9-15(12-28-21(17)33)13-6-7-14(16(24)8-13)10-20(32)29-19-11-18(30-31(19)4)22(2,3)23(25,26)27;/h6-9,11-12H,5,10H2,1-4H3,(H,28,33)(H,29,32);1H
InChIKeyCUNSMPFRMGIYGF-UHFFFAOYSA-N
XLogP4.76
TPSA89.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.92
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-(5-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-N-[1-methyl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazol-5-yl]acetamide;hydrochloride with MolForge

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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-[1-methyl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazol-5-yl]acetamide;hydrochloride?
The IUPAC name of 2-[4-(5-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-N-[1-methyl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazol-5-yl]acetamide;hydrochloride (CID 90423223) is 2-[4-(5-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-N-[1-methyl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazol-5-yl]acetamide;hydrochloride.
What is the SMILES notation for 2-[4-(5-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-N-[1-methyl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazol-5-yl]acetamide;hydrochloride?
The canonical SMILES for 2-[4-(5-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-N-[1-methyl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazol-5-yl]acetamide;hydrochloride is CCOc1cc(-c2ccc(CC(=O)Nc3cc(C(C)(C)C(F)(F)F)nn3C)c(F)c2)c[nH]c1=O.Cl.
What is the InChIKey of 2-[4-(5-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-N-[1-methyl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazol-5-yl]acetamide;hydrochloride?
The InChIKey is CUNSMPFRMGIYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F4N4O3.ClH/c1-5-34-17-9-15(12-28-21(17)33)13-6-7-14(16(24)8-13)10-20(32)29-19-11-18(30-31(19)4)22(2,3)23(25,26)27;/h6-9,11-12H,5,10H2,1-4H3,(H,28,33)(H,29,32);1H.
What are the key properties of 2-[4-(5-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-N-[1-methyl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazol-5-yl]acetamide;hydrochloride?
2-[4-(5-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-N-[1-methyl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazol-5-yl]acetamide;hydrochloride has a molecular weight of 516.92 g/mol, XLogP of 4.76, 7 rotatable bonds, 2 hydrogen bond donors, and 5 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-[1-methyl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazol-5-yl]acetamide;hydrochloride is sourced from PubChem (CID 90423223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).