5-(2-fluorophenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]furan-2-carboxamide

C20H17FN4O3 — CID 47029066

IUPAC5-(2-fluorophenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]furan-2-carboxamide
SMILESO=C1CN(c2ccc(NC(=O)c3ccc(-c4ccccc4F)o3)cn2)CCN1
InChIInChI=1S/C20H17FN4O3/c21-15-4-2-1-3-14(15)16-6-7-17(28-16)20(27)24-13-5-8-18(23-11-13)25-10-9-22-19(26)12-25/h1-8,11H,9-10,12H2,(H,22,26)(H,24,27)
InChIKeyJSOOXUDSDZLHQE-UHFFFAOYSA-N
MW380.38 g/mol
LogP2.67
Rot. Bonds4

About 5-(2-fluorophenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]furan-2-carboxamide

5-(2-fluorophenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]furan-2-carboxamide (PubChem CID 47029066) has the molecular formula C20H17FN4O3 and a molecular weight of 380.38 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(2-fluorophenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]furan-2-carboxamide
PubChem CID47029066
Molecular FormulaC20H17FN4O3
Molecular Weight380.38 g/mol
Exact Mass380.13
IUPAC Name5-(2-fluorophenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]furan-2-carboxamide
SMILESO=C1CN(c2ccc(NC(=O)c3ccc(-c4ccccc4F)o3)cn2)CCN1
InChIInChI=1S/C20H17FN4O3/c21-15-4-2-1-3-14(15)16-6-7-17(28-16)20(27)24-13-5-8-18(23-11-13)25-10-9-22-19(26)12-25/h1-8,11H,9-10,12H2,(H,22,26)(H,24,27)
InChIKeyJSOOXUDSDZLHQE-UHFFFAOYSA-N
XLogP2.67
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.38
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]furan-2-carboxamide?
The IUPAC name of 5-(2-fluorophenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]furan-2-carboxamide (CID 47029066) is 5-(2-fluorophenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]furan-2-carboxamide.
What is the SMILES notation for 5-(2-fluorophenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]furan-2-carboxamide?
The canonical SMILES for 5-(2-fluorophenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]furan-2-carboxamide is O=C1CN(c2ccc(NC(=O)c3ccc(-c4ccccc4F)o3)cn2)CCN1.
What is the InChIKey of 5-(2-fluorophenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]furan-2-carboxamide?
The InChIKey is JSOOXUDSDZLHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O3/c21-15-4-2-1-3-14(15)16-6-7-17(28-16)20(27)24-13-5-8-18(23-11-13)25-10-9-22-19(26)12-25/h1-8,11H,9-10,12H2,(H,22,26)(H,24,27).
What are the key properties of 5-(2-fluorophenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]furan-2-carboxamide?
5-(2-fluorophenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]furan-2-carboxamide has a molecular weight of 380.38 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]furan-2-carboxamide is sourced from PubChem (CID 47029066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).