(4-pyridin-4-ylpiperazin-1-yl)-(1-pyridin-3-ylsulfonylazetidin-3-yl)methanone

C18H21N5O3S — CID 62705315

IUPAC(4-pyridin-4-ylpiperazin-1-yl)-(1-pyridin-3-ylsulfonylazetidin-3-yl)methanone
SMILESO=C(C1CN(S(=O)(=O)c2cccnc2)C1)N1CCN(c2ccncc2)CC1
InChIInChI=1S/C18H21N5O3S/c24-18(22-10-8-21(9-11-22)16-3-6-19-7-4-16)15-13-23(14-15)27(25,26)17-2-1-5-20-12-17/h1-7,12,15H,8-11,13-14H2
InChIKeyDAGXTIFFZOFWSR-UHFFFAOYSA-N
MW387.47 g/mol
LogP0.45
Rot. Bonds4

About (4-pyridin-4-ylpiperazin-1-yl)-(1-pyridin-3-ylsulfonylazetidin-3-yl)methanone

(4-pyridin-4-ylpiperazin-1-yl)-(1-pyridin-3-ylsulfonylazetidin-3-yl)methanone (PubChem CID 62705315) has the molecular formula C18H21N5O3S and a molecular weight of 387.47 g/mol. Its IUPAC name is (4-pyridin-4-ylpiperazin-1-yl)-(1-pyridin-3-ylsulfonylazetidin-3-yl)methanone.

Molecular Properties

Compound Name(4-pyridin-4-ylpiperazin-1-yl)-(1-pyridin-3-ylsulfonylazetidin-3-yl)methanone
PubChem CID62705315
Molecular FormulaC18H21N5O3S
Molecular Weight387.47 g/mol
Exact Mass387.14
IUPAC Name(4-pyridin-4-ylpiperazin-1-yl)-(1-pyridin-3-ylsulfonylazetidin-3-yl)methanone
SMILESO=C(C1CN(S(=O)(=O)c2cccnc2)C1)N1CCN(c2ccncc2)CC1
InChIInChI=1S/C18H21N5O3S/c24-18(22-10-8-21(9-11-22)16-3-6-19-7-4-16)15-13-23(14-15)27(25,26)17-2-1-5-20-12-17/h1-7,12,15H,8-11,13-14H2
InChIKeyDAGXTIFFZOFWSR-UHFFFAOYSA-N
XLogP0.45
TPSA86.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-pyridin-4-ylpiperazin-1-yl)-(1-pyridin-3-ylsulfonylazetidin-3-yl)methanone?
The IUPAC name of (4-pyridin-4-ylpiperazin-1-yl)-(1-pyridin-3-ylsulfonylazetidin-3-yl)methanone (CID 62705315) is (4-pyridin-4-ylpiperazin-1-yl)-(1-pyridin-3-ylsulfonylazetidin-3-yl)methanone.
What is the SMILES notation for (4-pyridin-4-ylpiperazin-1-yl)-(1-pyridin-3-ylsulfonylazetidin-3-yl)methanone?
The canonical SMILES for (4-pyridin-4-ylpiperazin-1-yl)-(1-pyridin-3-ylsulfonylazetidin-3-yl)methanone is O=C(C1CN(S(=O)(=O)c2cccnc2)C1)N1CCN(c2ccncc2)CC1.
What is the InChIKey of (4-pyridin-4-ylpiperazin-1-yl)-(1-pyridin-3-ylsulfonylazetidin-3-yl)methanone?
The InChIKey is DAGXTIFFZOFWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3S/c24-18(22-10-8-21(9-11-22)16-3-6-19-7-4-16)15-13-23(14-15)27(25,26)17-2-1-5-20-12-17/h1-7,12,15H,8-11,13-14H2.
What are the key properties of (4-pyridin-4-ylpiperazin-1-yl)-(1-pyridin-3-ylsulfonylazetidin-3-yl)methanone?
(4-pyridin-4-ylpiperazin-1-yl)-(1-pyridin-3-ylsulfonylazetidin-3-yl)methanone has a molecular weight of 387.47 g/mol, XLogP of 0.45, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyridin-4-ylpiperazin-1-yl)-(1-pyridin-3-ylsulfonylazetidin-3-yl)methanone is sourced from PubChem (CID 62705315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).