5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-N-(3-fluoro-4-pyridinyl)selenophene-2-carboxamide

C20H14F2N4OSe — CID 87153045

IUPAC5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-N-(3-fluoro-4-pyridinyl)selenophene-2-carboxamide
SMILESCn1nc(-c2ccccc2F)cc1-c1ccc(C(=O)Nc2ccncc2F)[se]1
InChIInChI=1S/C20H14F2N4OSe/c1-26-17(10-16(25-26)12-4-2-3-5-13(12)21)18-6-7-19(28-18)20(27)24-15-8-9-23-11-14(15)22/h2-11H,1H3,(H,23,24,27)
InChIKeyRQMZVEPMBCGPSM-UHFFFAOYSA-N
MW443.32 g/mol
LogP3.74
Rot. Bonds4

About 5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-N-(3-fluoro-4-pyridinyl)selenophene-2-carboxamide

5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-N-(3-fluoro-4-pyridinyl)selenophene-2-carboxamide (PubChem CID 87153045) has the molecular formula C20H14F2N4OSe and a molecular weight of 443.32 g/mol. Its IUPAC name is 5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-N-(3-fluoro-4-pyridinyl)selenophene-2-carboxamide.

Molecular Properties

Compound Name5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-N-(3-fluoro-4-pyridinyl)selenophene-2-carboxamide
PubChem CID87153045
Molecular FormulaC20H14F2N4OSe
Molecular Weight443.32 g/mol
Exact Mass444.03
IUPAC Name5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-N-(3-fluoro-4-pyridinyl)selenophene-2-carboxamide
SMILESCn1nc(-c2ccccc2F)cc1-c1ccc(C(=O)Nc2ccncc2F)[se]1
InChIInChI=1S/C20H14F2N4OSe/c1-26-17(10-16(25-26)12-4-2-3-5-13(12)21)18-6-7-19(28-18)20(27)24-15-8-9-23-11-14(15)22/h2-11H,1H3,(H,23,24,27)
InChIKeyRQMZVEPMBCGPSM-UHFFFAOYSA-N
XLogP3.74
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.32
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-N-(3-fluoro-4-pyridinyl)selenophene-2-carboxamide?
The IUPAC name of 5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-N-(3-fluoro-4-pyridinyl)selenophene-2-carboxamide (CID 87153045) is 5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-N-(3-fluoro-4-pyridinyl)selenophene-2-carboxamide.
What is the SMILES notation for 5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-N-(3-fluoro-4-pyridinyl)selenophene-2-carboxamide?
The canonical SMILES for 5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-N-(3-fluoro-4-pyridinyl)selenophene-2-carboxamide is Cn1nc(-c2ccccc2F)cc1-c1ccc(C(=O)Nc2ccncc2F)[se]1.
What is the InChIKey of 5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-N-(3-fluoro-4-pyridinyl)selenophene-2-carboxamide?
The InChIKey is RQMZVEPMBCGPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N4OSe/c1-26-17(10-16(25-26)12-4-2-3-5-13(12)21)18-6-7-19(28-18)20(27)24-15-8-9-23-11-14(15)22/h2-11H,1H3,(H,23,24,27).
What are the key properties of 5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-N-(3-fluoro-4-pyridinyl)selenophene-2-carboxamide?
5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-N-(3-fluoro-4-pyridinyl)selenophene-2-carboxamide has a molecular weight of 443.32 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-N-(3-fluoro-4-pyridinyl)selenophene-2-carboxamide is sourced from PubChem (CID 87153045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).