4-[6-(pyridin-4-ylamino)pyridazin-3-yl]-N-[4-(trifluoromethylsulfanyl)phenyl]piperazine-1-carboxamide

C21H20F3N7OS — CID 122347844

IUPAC4-[6-(pyridin-4-ylamino)pyridazin-3-yl]-N-[4-(trifluoromethylsulfanyl)phenyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccc(SC(F)(F)F)cc1)N1CCN(c2ccc(Nc3ccncc3)nn2)CC1
InChIInChI=1S/C21H20F3N7OS/c22-21(23,24)33-17-3-1-15(2-4-17)27-20(32)31-13-11-30(12-14-31)19-6-5-18(28-29-19)26-16-7-9-25-10-8-16/h1-10H,11-14H2,(H,27,32)(H,25,26,28)
InChIKeyZXYQAAPPIDMYOP-UHFFFAOYSA-N
MW475.50 g/mol
LogP4.58
Rot. Bonds5

About 4-[6-(pyridin-4-ylamino)pyridazin-3-yl]-N-[4-(trifluoromethylsulfanyl)phenyl]piperazine-1-carboxamide

4-[6-(pyridin-4-ylamino)pyridazin-3-yl]-N-[4-(trifluoromethylsulfanyl)phenyl]piperazine-1-carboxamide (PubChem CID 122347844) has the molecular formula C21H20F3N7OS and a molecular weight of 475.50 g/mol. Its IUPAC name is 4-[6-(pyridin-4-ylamino)pyridazin-3-yl]-N-[4-(trifluoromethylsulfanyl)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[6-(pyridin-4-ylamino)pyridazin-3-yl]-N-[4-(trifluoromethylsulfanyl)phenyl]piperazine-1-carboxamide
PubChem CID122347844
Molecular FormulaC21H20F3N7OS
Molecular Weight475.50 g/mol
Exact Mass475.14
IUPAC Name4-[6-(pyridin-4-ylamino)pyridazin-3-yl]-N-[4-(trifluoromethylsulfanyl)phenyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccc(SC(F)(F)F)cc1)N1CCN(c2ccc(Nc3ccncc3)nn2)CC1
InChIInChI=1S/C21H20F3N7OS/c22-21(23,24)33-17-3-1-15(2-4-17)27-20(32)31-13-11-30(12-14-31)19-6-5-18(28-29-19)26-16-7-9-25-10-8-16/h1-10H,11-14H2,(H,27,32)(H,25,26,28)
InChIKeyZXYQAAPPIDMYOP-UHFFFAOYSA-N
XLogP4.58
TPSA86.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.50
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[6-(pyridin-4-ylamino)pyridazin-3-yl]-N-[4-(trifluoromethylsulfanyl)phenyl]piperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[6-(pyridin-3-ylamino)pyridazin-3-yl]-N-[4-(trifluoromethylsulfanyl)phenyl]piperazine-1-carboxamide
CID 122347587
4-[6-(pyridin-2-ylamino)pyridazin-3-yl]-N-[4-(trifluoromethylsulfanyl)phenyl]piperazine-1-carboxamide
CID 122347328
N-(3,4-difluorophenyl)-4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazine-1-carboxamide
CID 122347837
pyridin-4-yl-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347828
oxan-4-yl-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347928
4-[6-(ethylamino)-2-methylpyrimidin-4-yl]-N-[4-(trifluoromethylsulfanyl)phenyl]piperazine-1-carboxamide
CID 122351650
4-(cyclopropanecarbonyl)-N-[4-(trifluoromethylsulfanyl)phenyl]piperazine-1-carboxamide
CID 154833383
4-(2,5-dimethylphenyl)-N-[4-(trifluoromethylsulfanyl)phenyl]piperazine-1-carboxamide
CID 3671524
(5-chlorothiophen-2-yl)-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347915
N-[3,5-bis(trifluoromethyl)phenyl]-4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazine-1-carboxamide
CID 122347323
4-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]-N-[4-(trifluoromethylsulfanyl)phenyl]piperazine-1-carboxamide
CID 122333728
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazine-1-carboxamide
CID 42111913

Frequently Asked Questions

What is the IUPAC name of 4-[6-(pyridin-4-ylamino)pyridazin-3-yl]-N-[4-(trifluoromethylsulfanyl)phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-[6-(pyridin-4-ylamino)pyridazin-3-yl]-N-[4-(trifluoromethylsulfanyl)phenyl]piperazine-1-carboxamide (CID 122347844) is 4-[6-(pyridin-4-ylamino)pyridazin-3-yl]-N-[4-(trifluoromethylsulfanyl)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[6-(pyridin-4-ylamino)pyridazin-3-yl]-N-[4-(trifluoromethylsulfanyl)phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-[6-(pyridin-4-ylamino)pyridazin-3-yl]-N-[4-(trifluoromethylsulfanyl)phenyl]piperazine-1-carboxamide is O=C(Nc1ccc(SC(F)(F)F)cc1)N1CCN(c2ccc(Nc3ccncc3)nn2)CC1.
What is the InChIKey of 4-[6-(pyridin-4-ylamino)pyridazin-3-yl]-N-[4-(trifluoromethylsulfanyl)phenyl]piperazine-1-carboxamide?
The InChIKey is ZXYQAAPPIDMYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N7OS/c22-21(23,24)33-17-3-1-15(2-4-17)27-20(32)31-13-11-30(12-14-31)19-6-5-18(28-29-19)26-16-7-9-25-10-8-16/h1-10H,11-14H2,(H,27,32)(H,25,26,28).
What are the key properties of 4-[6-(pyridin-4-ylamino)pyridazin-3-yl]-N-[4-(trifluoromethylsulfanyl)phenyl]piperazine-1-carboxamide?
4-[6-(pyridin-4-ylamino)pyridazin-3-yl]-N-[4-(trifluoromethylsulfanyl)phenyl]piperazine-1-carboxamide has a molecular weight of 475.50 g/mol, XLogP of 4.58, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(pyridin-4-ylamino)pyridazin-3-yl]-N-[4-(trifluoromethylsulfanyl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 122347844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).