[4-[5-(3-fluoroanilino)pyrazine-2-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone

C20H18FN5O3 — CID 109286543

IUPAC[4-[5-(3-fluoroanilino)pyrazine-2-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1cnc(Nc2cccc(F)c2)cn1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C20H18FN5O3/c21-14-3-1-4-15(11-14)24-18-13-22-16(12-23-18)19(27)25-6-8-26(9-7-25)20(28)17-5-2-10-29-17/h1-5,10-13H,6-9H2,(H,23,24)
InChIKeyXCHAGRKWUDZPEZ-UHFFFAOYSA-N
MW395.39 g/mol
LogP2.55
Rot. Bonds4

About [4-[5-(3-fluoroanilino)pyrazine-2-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone

[4-[5-(3-fluoroanilino)pyrazine-2-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 109286543) has the molecular formula C20H18FN5O3 and a molecular weight of 395.39 g/mol. Its IUPAC name is [4-[5-(3-fluoroanilino)pyrazine-2-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-[5-(3-fluoroanilino)pyrazine-2-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID109286543
Molecular FormulaC20H18FN5O3
Molecular Weight395.39 g/mol
Exact Mass395.14
IUPAC Name[4-[5-(3-fluoroanilino)pyrazine-2-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1cnc(Nc2cccc(F)c2)cn1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C20H18FN5O3/c21-14-3-1-4-15(11-14)24-18-13-22-16(12-23-18)19(27)25-6-8-26(9-7-25)20(28)17-5-2-10-29-17/h1-5,10-13H,6-9H2,(H,23,24)
InChIKeyXCHAGRKWUDZPEZ-UHFFFAOYSA-N
XLogP2.55
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.39
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[2-(3-fluoroanilino)pyrimidine-5-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 109262152
[4-[6-(3-fluoroanilino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 112875500
[4-[5-(cyclopropylamino)pyrazine-2-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 109271816
2-(3-fluoroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 109004693
(5-anilinopyrazin-2-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 109285593
N-[6-(3-fluoroanilino)-3-pyridinyl]furan-2-carboxamide
CID 113021264
furan-2-yl-[4-[5-(pyridin-2-ylmethylamino)pyrazine-2-carbonyl]piperazin-1-yl]methanone
CID 109283092
pyrrolidin-1-yl-[5-[3-(trifluoromethyl)anilino]pyrazin-2-yl]methanone
CID 109273635
[4-[5-(3-fluorophenyl)-1-methylpyrazole-3-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 46104888
1-[4-[5-(3,4-difluoroanilino)pyrazine-2-carbonyl]piperazin-1-yl]ethanone
CID 109279160
[5-(3-fluoroanilino)-2-pyridinyl]-morpholin-4-ylmethanone
CID 109184706
(4-ethylpiperazin-1-yl)-[5-(4-fluoroanilino)pyrazin-2-yl]methanone
CID 109278506

Frequently Asked Questions

What is the IUPAC name of [4-[5-(3-fluoroanilino)pyrazine-2-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-[5-(3-fluoroanilino)pyrazine-2-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone (CID 109286543) is [4-[5-(3-fluoroanilino)pyrazine-2-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-[5-(3-fluoroanilino)pyrazine-2-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-[5-(3-fluoroanilino)pyrazine-2-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone is O=C(c1cnc(Nc2cccc(F)c2)cn1)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of [4-[5-(3-fluoroanilino)pyrazine-2-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is XCHAGRKWUDZPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O3/c21-14-3-1-4-15(11-14)24-18-13-22-16(12-23-18)19(27)25-6-8-26(9-7-25)20(28)17-5-2-10-29-17/h1-5,10-13H,6-9H2,(H,23,24).
What are the key properties of [4-[5-(3-fluoroanilino)pyrazine-2-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone?
[4-[5-(3-fluoroanilino)pyrazine-2-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 395.39 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(3-fluoroanilino)pyrazine-2-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 109286543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).