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

C20H18FN5O3 — CID 109262152

IUPAC[4-[2-(3-fluoroanilino)pyrimidine-5-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1cnc(Nc2cccc(F)c2)nc1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C20H18FN5O3/c21-15-3-1-4-16(11-15)24-20-22-12-14(13-23-20)18(27)25-6-8-26(9-7-25)19(28)17-5-2-10-29-17/h1-5,10-13H,6-9H2,(H,22,23,24)
InChIKeyFMRKJRXVATWTEH-UHFFFAOYSA-N
MW395.39 g/mol
LogP2.55
Rot. Bonds4

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

[4-[2-(3-fluoroanilino)pyrimidine-5-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 109262152) has the molecular formula C20H18FN5O3 and a molecular weight of 395.39 g/mol. Its IUPAC name is [4-[2-(3-fluoroanilino)pyrimidine-5-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-[2-(3-fluoroanilino)pyrimidine-5-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID109262152
Molecular FormulaC20H18FN5O3
Molecular Weight395.39 g/mol
Exact Mass395.14
IUPAC Name[4-[2-(3-fluoroanilino)pyrimidine-5-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1cnc(Nc2cccc(F)c2)nc1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C20H18FN5O3/c21-15-3-1-4-16(11-15)24-20-22-12-14(13-23-20)18(27)25-6-8-26(9-7-25)19(28)17-5-2-10-29-17/h1-5,10-13H,6-9H2,(H,22,23,24)
InChIKeyFMRKJRXVATWTEH-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-[5-(3-fluoroanilino)pyrazine-2-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 109286543
2-(3-fluoroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 109004693
[4-[6-(3-fluoroanilino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 112875500
[2-(3-fluoroanilino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 109264391
[2-(4-fluoroanilino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 109249311
1-[4-[2-(3-chloroanilino)pyrimidine-5-carbonyl]piperazin-1-yl]ethanone
CID 109254682
3-fluoro-N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]benzamide
CID 649966
N-(3-fluorophenyl)-2-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-methylamino]acetamide
CID 8006283
[2-(3-methylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109249984
azepan-1-yl-[2-(3-bromoanilino)pyrimidin-5-yl]methanone
CID 109264922
[4-[2-(diethylamino)pyrimidine-5-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 109262135
1-[3-[[5-(morpholine-4-carbonyl)pyrimidin-2-yl]amino]phenyl]ethanone
CID 109252160

Frequently Asked Questions

What is the IUPAC name of [4-[2-(3-fluoroanilino)pyrimidine-5-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-[2-(3-fluoroanilino)pyrimidine-5-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone (CID 109262152) is [4-[2-(3-fluoroanilino)pyrimidine-5-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-[2-(3-fluoroanilino)pyrimidine-5-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-[2-(3-fluoroanilino)pyrimidine-5-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone is O=C(c1cnc(Nc2cccc(F)c2)nc1)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of [4-[2-(3-fluoroanilino)pyrimidine-5-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is FMRKJRXVATWTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O3/c21-15-3-1-4-16(11-15)24-20-22-12-14(13-23-20)18(27)25-6-8-26(9-7-25)19(28)17-5-2-10-29-17/h1-5,10-13H,6-9H2,(H,22,23,24).
What are the key properties of [4-[2-(3-fluoroanilino)pyrimidine-5-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone?
[4-[2-(3-fluoroanilino)pyrimidine-5-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-[2-(3-fluoroanilino)pyrimidine-5-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 109262152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).