2-(4-fluorophenoxy)-N-[3-(furan-2-yl)-1-(4-oxo-6-phenyl-1,3-diazinan-2-yl)pyrazol-5-yl]acetamide

C25H22FN5O4 — CID 74798414

IUPAC2-(4-fluorophenoxy)-N-[3-(furan-2-yl)-1-(4-oxo-6-phenyl-1,3-diazinan-2-yl)pyrazol-5-yl]acetamide
SMILESO=C(COc1ccc(F)cc1)Nc1cc(-c2ccco2)nn1C1NC(=O)CC(c2ccccc2)N1
InChIInChI=1S/C25H22FN5O4/c26-17-8-10-18(11-9-17)35-15-24(33)28-22-13-20(21-7-4-12-34-21)30-31(22)25-27-19(14-23(32)29-25)16-5-2-1-3-6-16/h1-13,19,25,27H,14-15H2,(H,28,33)(H,29,32)
InChIKeyZHEVNTFMUXAGCS-UHFFFAOYSA-N
MW475.48 g/mol
LogP3.61
Rot. Bonds7

About 2-(4-fluorophenoxy)-N-[3-(furan-2-yl)-1-(4-oxo-6-phenyl-1,3-diazinan-2-yl)pyrazol-5-yl]acetamide

2-(4-fluorophenoxy)-N-[3-(furan-2-yl)-1-(4-oxo-6-phenyl-1,3-diazinan-2-yl)pyrazol-5-yl]acetamide (PubChem CID 74798414) has the molecular formula C25H22FN5O4 and a molecular weight of 475.48 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-[3-(furan-2-yl)-1-(4-oxo-6-phenyl-1,3-diazinan-2-yl)pyrazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-[3-(furan-2-yl)-1-(4-oxo-6-phenyl-1,3-diazinan-2-yl)pyrazol-5-yl]acetamide
PubChem CID74798414
Molecular FormulaC25H22FN5O4
Molecular Weight475.48 g/mol
Exact Mass475.17
IUPAC Name2-(4-fluorophenoxy)-N-[3-(furan-2-yl)-1-(4-oxo-6-phenyl-1,3-diazinan-2-yl)pyrazol-5-yl]acetamide
SMILESO=C(COc1ccc(F)cc1)Nc1cc(-c2ccco2)nn1C1NC(=O)CC(c2ccccc2)N1
InChIInChI=1S/C25H22FN5O4/c26-17-8-10-18(11-9-17)35-15-24(33)28-22-13-20(21-7-4-12-34-21)30-31(22)25-27-19(14-23(32)29-25)16-5-2-1-3-6-16/h1-13,19,25,27H,14-15H2,(H,28,33)(H,29,32)
InChIKeyZHEVNTFMUXAGCS-UHFFFAOYSA-N
XLogP3.61
TPSA110.42 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.48
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-[3-(furan-2-yl)-1-(4-oxo-6-phenyl-1,3-diazinan-2-yl)pyrazol-5-yl]acetamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-[3-(furan-2-yl)-1-(4-oxo-6-phenyl-1,3-diazinan-2-yl)pyrazol-5-yl]acetamide (CID 74798414) is 2-(4-fluorophenoxy)-N-[3-(furan-2-yl)-1-(4-oxo-6-phenyl-1,3-diazinan-2-yl)pyrazol-5-yl]acetamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-[3-(furan-2-yl)-1-(4-oxo-6-phenyl-1,3-diazinan-2-yl)pyrazol-5-yl]acetamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-[3-(furan-2-yl)-1-(4-oxo-6-phenyl-1,3-diazinan-2-yl)pyrazol-5-yl]acetamide is O=C(COc1ccc(F)cc1)Nc1cc(-c2ccco2)nn1C1NC(=O)CC(c2ccccc2)N1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-[3-(furan-2-yl)-1-(4-oxo-6-phenyl-1,3-diazinan-2-yl)pyrazol-5-yl]acetamide?
The InChIKey is ZHEVNTFMUXAGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN5O4/c26-17-8-10-18(11-9-17)35-15-24(33)28-22-13-20(21-7-4-12-34-21)30-31(22)25-27-19(14-23(32)29-25)16-5-2-1-3-6-16/h1-13,19,25,27H,14-15H2,(H,28,33)(H,29,32).
What are the key properties of 2-(4-fluorophenoxy)-N-[3-(furan-2-yl)-1-(4-oxo-6-phenyl-1,3-diazinan-2-yl)pyrazol-5-yl]acetamide?
2-(4-fluorophenoxy)-N-[3-(furan-2-yl)-1-(4-oxo-6-phenyl-1,3-diazinan-2-yl)pyrazol-5-yl]acetamide has a molecular weight of 475.48 g/mol, XLogP of 3.61, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-[3-(furan-2-yl)-1-(4-oxo-6-phenyl-1,3-diazinan-2-yl)pyrazol-5-yl]acetamide is sourced from PubChem (CID 74798414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).