4-[5-[4-[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine

C19H22FN9O3S — CID 122355814

IUPAC4-[5-[4-[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine
SMILESO=S(=O)(c1ccc(F)c(-c2nn[nH]n2)c1)N1CCN(c2cnnc(N3CCOCC3)c2)CC1
InChIInChI=1S/C19H22FN9O3S/c20-17-2-1-15(12-16(17)19-23-25-26-24-19)33(30,31)29-5-3-27(4-6-29)14-11-18(22-21-13-14)28-7-9-32-10-8-28/h1-2,11-13H,3-10H2,(H,23,24,25,26)
InChIKeyXCGDADYNFLOKFY-UHFFFAOYSA-N
MW475.51 g/mol
LogP0.14
Rot. Bonds5

About 4-[5-[4-[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine

4-[5-[4-[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine (PubChem CID 122355814) has the molecular formula C19H22FN9O3S and a molecular weight of 475.51 g/mol. Its IUPAC name is 4-[5-[4-[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine.

Molecular Properties

Compound Name4-[5-[4-[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine
PubChem CID122355814
Molecular FormulaC19H22FN9O3S
Molecular Weight475.51 g/mol
Exact Mass475.16
IUPAC Name4-[5-[4-[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine
SMILESO=S(=O)(c1ccc(F)c(-c2nn[nH]n2)c1)N1CCN(c2cnnc(N3CCOCC3)c2)CC1
InChIInChI=1S/C19H22FN9O3S/c20-17-2-1-15(12-16(17)19-23-25-26-24-19)33(30,31)29-5-3-27(4-6-29)14-11-18(22-21-13-14)28-7-9-32-10-8-28/h1-2,11-13H,3-10H2,(H,23,24,25,26)
InChIKeyXCGDADYNFLOKFY-UHFFFAOYSA-N
XLogP0.14
TPSA133.33 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.51
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

4-[6-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyridazin-4-yl]morpholine
CID 91968933
6-[4-[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-3-amine
CID 122334241
4-[6-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazin-1-yl]pyridazin-4-yl]morpholine
CID 122355504
4-[5-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine
CID 91969055
4-[6-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]pyridazin-4-yl]morpholine
CID 91968916
4-[6-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]pyridazin-4-yl]morpholine
CID 122355511
4-[5-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine
CID 91969068
4-[5-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine
CID 91969049
4-[6-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyridazin-4-yl]morpholine
CID 91968934
3-(3,5-dimethylpyrazol-1-yl)-6-[4-[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]sulfonylpiperazin-1-yl]pyridazine
CID 122339408
4-[6-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-4-yl]morpholine
CID 91968904
6-[4-[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]sulfonylpiperazin-1-yl]-N-(5-methyl-2-pyridinyl)pyridazin-3-amine
CID 122351561

Frequently Asked Questions

What is the IUPAC name of 4-[5-[4-[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine?
The IUPAC name of 4-[5-[4-[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine (CID 122355814) is 4-[5-[4-[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine.
What is the SMILES notation for 4-[5-[4-[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine?
The canonical SMILES for 4-[5-[4-[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine is O=S(=O)(c1ccc(F)c(-c2nn[nH]n2)c1)N1CCN(c2cnnc(N3CCOCC3)c2)CC1.
What is the InChIKey of 4-[5-[4-[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine?
The InChIKey is XCGDADYNFLOKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN9O3S/c20-17-2-1-15(12-16(17)19-23-25-26-24-19)33(30,31)29-5-3-27(4-6-29)14-11-18(22-21-13-14)28-7-9-32-10-8-28/h1-2,11-13H,3-10H2,(H,23,24,25,26).
What are the key properties of 4-[5-[4-[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine?
4-[5-[4-[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine has a molecular weight of 475.51 g/mol, XLogP of 0.14, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[4-[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine is sourced from PubChem (CID 122355814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).