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

C18H13FN4O2Se — CID 56941949

IUPACN-(3-fluoro-4-pyridinyl)-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]selenophene-2-carboxamide
SMILESCn1nc(-c2ccco2)cc1-c1ccc(C(=O)Nc2ccncc2F)[se]1
InChIInChI=1S/C18H13FN4O2Se/c1-23-14(9-13(22-23)15-3-2-8-25-15)16-4-5-17(26-16)18(24)21-12-6-7-20-10-11(12)19/h2-10H,1H3,(H,20,21,24)
InChIKeyBYEJZBGXSYCTNH-UHFFFAOYSA-N
MW415.29 g/mol
LogP3.19
Rot. Bonds4

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

N-(3-fluoro-4-pyridinyl)-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]selenophene-2-carboxamide (PubChem CID 56941949) has the molecular formula C18H13FN4O2Se and a molecular weight of 415.29 g/mol. Its IUPAC name is N-(3-fluoro-4-pyridinyl)-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]selenophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-pyridinyl)-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]selenophene-2-carboxamide
PubChem CID56941949
Molecular FormulaC18H13FN4O2Se
Molecular Weight415.29 g/mol
Exact Mass416.02
IUPAC NameN-(3-fluoro-4-pyridinyl)-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]selenophene-2-carboxamide
SMILESCn1nc(-c2ccco2)cc1-c1ccc(C(=O)Nc2ccncc2F)[se]1
InChIInChI=1S/C18H13FN4O2Se/c1-23-14(9-13(22-23)15-3-2-8-25-15)16-4-5-17(26-16)18(24)21-12-6-7-20-10-11(12)19/h2-10H,1H3,(H,20,21,24)
InChIKeyBYEJZBGXSYCTNH-UHFFFAOYSA-N
XLogP3.19
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.29
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(3-fluoro-4-pyridinyl)-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]selenophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-pyridinyl)-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]selenophene-2-carboxamide?
The IUPAC name of N-(3-fluoro-4-pyridinyl)-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]selenophene-2-carboxamide (CID 56941949) is N-(3-fluoro-4-pyridinyl)-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]selenophene-2-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-pyridinyl)-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]selenophene-2-carboxamide?
The canonical SMILES for N-(3-fluoro-4-pyridinyl)-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]selenophene-2-carboxamide is Cn1nc(-c2ccco2)cc1-c1ccc(C(=O)Nc2ccncc2F)[se]1.
What is the InChIKey of N-(3-fluoro-4-pyridinyl)-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]selenophene-2-carboxamide?
The InChIKey is BYEJZBGXSYCTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4O2Se/c1-23-14(9-13(22-23)15-3-2-8-25-15)16-4-5-17(26-16)18(24)21-12-6-7-20-10-11(12)19/h2-10H,1H3,(H,20,21,24).
What are the key properties of N-(3-fluoro-4-pyridinyl)-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]selenophene-2-carboxamide?
N-(3-fluoro-4-pyridinyl)-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]selenophene-2-carboxamide has a molecular weight of 415.29 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-pyridinyl)-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]selenophene-2-carboxamide is sourced from PubChem (CID 56941949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).