[4-(2-fluorophenyl)piperazin-1-yl]-[1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidin-4-yl]methanone

C23H26FN5O4S — CID 50784768

IUPAC[4-(2-fluorophenyl)piperazin-1-yl]-[1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidin-4-yl]methanone
SMILESO=C(C1CCN(S(=O)(=O)c2ccc(-c3ccn[nH]3)o2)CC1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C23H26FN5O4S/c24-18-3-1-2-4-20(18)27-13-15-28(16-14-27)23(30)17-8-11-29(12-9-17)34(31,32)22-6-5-21(33-22)19-7-10-25-26-19/h1-7,10,17H,8-9,11-16H2,(H,25,26)
InChIKeyQZGOTQICYUNHTP-UHFFFAOYSA-N
MW487.56 g/mol
LogP2.56
Rot. Bonds5

About [4-(2-fluorophenyl)piperazin-1-yl]-[1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidin-4-yl]methanone

[4-(2-fluorophenyl)piperazin-1-yl]-[1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidin-4-yl]methanone (PubChem CID 50784768) has the molecular formula C23H26FN5O4S and a molecular weight of 487.56 g/mol. Its IUPAC name is [4-(2-fluorophenyl)piperazin-1-yl]-[1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidin-4-yl]methanone.

Molecular Properties

Compound Name[4-(2-fluorophenyl)piperazin-1-yl]-[1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidin-4-yl]methanone
PubChem CID50784768
Molecular FormulaC23H26FN5O4S
Molecular Weight487.56 g/mol
Exact Mass487.17
IUPAC Name[4-(2-fluorophenyl)piperazin-1-yl]-[1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidin-4-yl]methanone
SMILESO=C(C1CCN(S(=O)(=O)c2ccc(-c3ccn[nH]3)o2)CC1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C23H26FN5O4S/c24-18-3-1-2-4-20(18)27-13-15-28(16-14-27)23(30)17-8-11-29(12-9-17)34(31,32)22-6-5-21(33-22)19-7-10-25-26-19/h1-7,10,17H,8-9,11-16H2,(H,25,26)
InChIKeyQZGOTQICYUNHTP-UHFFFAOYSA-N
XLogP2.56
TPSA102.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.56
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-[1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidin-4-yl]methanone?
The IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-[1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidin-4-yl]methanone (CID 50784768) is [4-(2-fluorophenyl)piperazin-1-yl]-[1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidin-4-yl]methanone.
What is the SMILES notation for [4-(2-fluorophenyl)piperazin-1-yl]-[1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidin-4-yl]methanone?
The canonical SMILES for [4-(2-fluorophenyl)piperazin-1-yl]-[1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidin-4-yl]methanone is O=C(C1CCN(S(=O)(=O)c2ccc(-c3ccn[nH]3)o2)CC1)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of [4-(2-fluorophenyl)piperazin-1-yl]-[1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidin-4-yl]methanone?
The InChIKey is QZGOTQICYUNHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O4S/c24-18-3-1-2-4-20(18)27-13-15-28(16-14-27)23(30)17-8-11-29(12-9-17)34(31,32)22-6-5-21(33-22)19-7-10-25-26-19/h1-7,10,17H,8-9,11-16H2,(H,25,26).
What are the key properties of [4-(2-fluorophenyl)piperazin-1-yl]-[1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidin-4-yl]methanone?
[4-(2-fluorophenyl)piperazin-1-yl]-[1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidin-4-yl]methanone has a molecular weight of 487.56 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluorophenyl)piperazin-1-yl]-[1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidin-4-yl]methanone is sourced from PubChem (CID 50784768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).