N-pyridin-2-yl-6-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyridazin-3-amine

C20H19F3N6O3S — CID 121064974

IUPACN-pyridin-2-yl-6-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyridazin-3-amine
SMILESO=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCN(c2ccc(Nc3ccccn3)nn2)CC1
InChIInChI=1S/C20H19F3N6O3S/c21-20(22,23)32-15-4-6-16(7-5-15)33(30,31)29-13-11-28(12-14-29)19-9-8-18(26-27-19)25-17-3-1-2-10-24-17/h1-10H,11-14H2,(H,24,25,26)
InChIKeyRVLSMGSRBZDKAS-UHFFFAOYSA-N
MW480.47 g/mol
LogP3.02
Rot. Bonds6

About N-pyridin-2-yl-6-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyridazin-3-amine

N-pyridin-2-yl-6-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyridazin-3-amine (PubChem CID 121064974) has the molecular formula C20H19F3N6O3S and a molecular weight of 480.47 g/mol. Its IUPAC name is N-pyridin-2-yl-6-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyridazin-3-amine.

Molecular Properties

Compound NameN-pyridin-2-yl-6-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyridazin-3-amine
PubChem CID121064974
Molecular FormulaC20H19F3N6O3S
Molecular Weight480.47 g/mol
Exact Mass480.12
IUPAC NameN-pyridin-2-yl-6-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyridazin-3-amine
SMILESO=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCN(c2ccc(Nc3ccccn3)nn2)CC1
InChIInChI=1S/C20H19F3N6O3S/c21-20(22,23)32-15-4-6-16(7-5-15)33(30,31)29-13-11-28(12-14-29)19-9-8-18(26-27-19)25-17-3-1-2-10-24-17/h1-10H,11-14H2,(H,24,25,26)
InChIKeyRVLSMGSRBZDKAS-UHFFFAOYSA-N
XLogP3.02
TPSA100.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.47
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyridazin-3-amine
CID 50945710
N-ethyl-6-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyridazin-3-amine
CID 122350710
N-pyridin-2-yl-6-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyridazin-3-amine
CID 50947239
6-[4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyridazin-3-amine
CID 122347522
6-[4-(3-chloro-4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyridazin-3-amine
CID 121064991
6-[4-(4-ethoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyridazin-3-amine
CID 122347520
6-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyridazin-3-amine
CID 122347561
6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-phenylpyridazin-3-amine
CID 44827467
1-pyridin-2-yl-3-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]oxyurea
CID 44553622
N-(5-methyl-2-pyridinyl)-6-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-amine
CID 56922339
4-pyrazol-1-yl-6-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyrimidine
CID 121072473
1-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine
CID 90507660

Frequently Asked Questions

What is the IUPAC name of N-pyridin-2-yl-6-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyridazin-3-amine?
The IUPAC name of N-pyridin-2-yl-6-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyridazin-3-amine (CID 121064974) is N-pyridin-2-yl-6-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyridazin-3-amine.
What is the SMILES notation for N-pyridin-2-yl-6-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyridazin-3-amine?
The canonical SMILES for N-pyridin-2-yl-6-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyridazin-3-amine is O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCN(c2ccc(Nc3ccccn3)nn2)CC1.
What is the InChIKey of N-pyridin-2-yl-6-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyridazin-3-amine?
The InChIKey is RVLSMGSRBZDKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N6O3S/c21-20(22,23)32-15-4-6-16(7-5-15)33(30,31)29-13-11-28(12-14-29)19-9-8-18(26-27-19)25-17-3-1-2-10-24-17/h1-10H,11-14H2,(H,24,25,26).
What are the key properties of N-pyridin-2-yl-6-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyridazin-3-amine?
N-pyridin-2-yl-6-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyridazin-3-amine has a molecular weight of 480.47 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-2-yl-6-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyridazin-3-amine is sourced from PubChem (CID 121064974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).