4-[6-[4-[[4-(trifluoromethyl)phenyl]methylsulfonyl]piperazin-1-yl]pyridazin-4-yl]morpholine

C20H24F3N5O3S — CID 122355503

IUPAC4-[6-[4-[[4-(trifluoromethyl)phenyl]methylsulfonyl]piperazin-1-yl]pyridazin-4-yl]morpholine
SMILESO=S(=O)(Cc1ccc(C(F)(F)F)cc1)N1CCN(c2cc(N3CCOCC3)cnn2)CC1
InChIInChI=1S/C20H24F3N5O3S/c21-20(22,23)17-3-1-16(2-4-17)15-32(29,30)28-7-5-27(6-8-28)19-13-18(14-24-25-19)26-9-11-31-12-10-26/h1-4,13-14H,5-12,15H2
InChIKeyYDBLARXSABAZFT-UHFFFAOYSA-N
MW471.51 g/mol
LogP1.98
Rot. Bonds5

About 4-[6-[4-[[4-(trifluoromethyl)phenyl]methylsulfonyl]piperazin-1-yl]pyridazin-4-yl]morpholine

4-[6-[4-[[4-(trifluoromethyl)phenyl]methylsulfonyl]piperazin-1-yl]pyridazin-4-yl]morpholine (PubChem CID 122355503) has the molecular formula C20H24F3N5O3S and a molecular weight of 471.51 g/mol. Its IUPAC name is 4-[6-[4-[[4-(trifluoromethyl)phenyl]methylsulfonyl]piperazin-1-yl]pyridazin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-[4-[[4-(trifluoromethyl)phenyl]methylsulfonyl]piperazin-1-yl]pyridazin-4-yl]morpholine
PubChem CID122355503
Molecular FormulaC20H24F3N5O3S
Molecular Weight471.51 g/mol
Exact Mass471.16
IUPAC Name4-[6-[4-[[4-(trifluoromethyl)phenyl]methylsulfonyl]piperazin-1-yl]pyridazin-4-yl]morpholine
SMILESO=S(=O)(Cc1ccc(C(F)(F)F)cc1)N1CCN(c2cc(N3CCOCC3)cnn2)CC1
InChIInChI=1S/C20H24F3N5O3S/c21-20(22,23)17-3-1-16(2-4-17)15-32(29,30)28-7-5-27(6-8-28)19-13-18(14-24-25-19)26-9-11-31-12-10-26/h1-4,13-14H,5-12,15H2
InChIKeyYDBLARXSABAZFT-UHFFFAOYSA-N
XLogP1.98
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.51
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-[[4-(trifluoromethyl)phenyl]methylsulfonyl]piperazin-1-yl]pyridazin-4-yl]morpholine?
The IUPAC name of 4-[6-[4-[[4-(trifluoromethyl)phenyl]methylsulfonyl]piperazin-1-yl]pyridazin-4-yl]morpholine (CID 122355503) is 4-[6-[4-[[4-(trifluoromethyl)phenyl]methylsulfonyl]piperazin-1-yl]pyridazin-4-yl]morpholine.
What is the SMILES notation for 4-[6-[4-[[4-(trifluoromethyl)phenyl]methylsulfonyl]piperazin-1-yl]pyridazin-4-yl]morpholine?
The canonical SMILES for 4-[6-[4-[[4-(trifluoromethyl)phenyl]methylsulfonyl]piperazin-1-yl]pyridazin-4-yl]morpholine is O=S(=O)(Cc1ccc(C(F)(F)F)cc1)N1CCN(c2cc(N3CCOCC3)cnn2)CC1.
What is the InChIKey of 4-[6-[4-[[4-(trifluoromethyl)phenyl]methylsulfonyl]piperazin-1-yl]pyridazin-4-yl]morpholine?
The InChIKey is YDBLARXSABAZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N5O3S/c21-20(22,23)17-3-1-16(2-4-17)15-32(29,30)28-7-5-27(6-8-28)19-13-18(14-24-25-19)26-9-11-31-12-10-26/h1-4,13-14H,5-12,15H2.
What are the key properties of 4-[6-[4-[[4-(trifluoromethyl)phenyl]methylsulfonyl]piperazin-1-yl]pyridazin-4-yl]morpholine?
4-[6-[4-[[4-(trifluoromethyl)phenyl]methylsulfonyl]piperazin-1-yl]pyridazin-4-yl]morpholine has a molecular weight of 471.51 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-[[4-(trifluoromethyl)phenyl]methylsulfonyl]piperazin-1-yl]pyridazin-4-yl]morpholine is sourced from PubChem (CID 122355503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).