7-[(3R)-1-methylpiperidin-3-yl]oxy-4-[4-(trifluoromethyl)phenyl]thieno[2,3-d]pyridazine

C19H18F3N3OS — CID 174266465

IUPAC7-[(3R)-1-methylpiperidin-3-yl]oxy-4-[4-(trifluoromethyl)phenyl]thieno[2,3-d]pyridazine
SMILESCN1CCC[C@@H](Oc2nnc(-c3ccc(C(F)(F)F)cc3)c3ccsc23)C1
InChIInChI=1S/C19H18F3N3OS/c1-25-9-2-3-14(11-25)26-18-17-15(8-10-27-17)16(23-24-18)12-4-6-13(7-5-12)19(20,21)22/h4-8,10,14H,2-3,9,11H2,1H3/t14-/m1/s1
InChIKeyLPAJFBBZMVMOGM-CQSZACIVSA-N
MW393.43 g/mol
LogP4.85
Rot. Bonds3

About 7-[(3R)-1-methylpiperidin-3-yl]oxy-4-[4-(trifluoromethyl)phenyl]thieno[2,3-d]pyridazine

7-[(3R)-1-methylpiperidin-3-yl]oxy-4-[4-(trifluoromethyl)phenyl]thieno[2,3-d]pyridazine (PubChem CID 174266465) has the molecular formula C19H18F3N3OS and a molecular weight of 393.43 g/mol. Its IUPAC name is 7-[(3R)-1-methylpiperidin-3-yl]oxy-4-[4-(trifluoromethyl)phenyl]thieno[2,3-d]pyridazine.

Molecular Properties

Compound Name7-[(3R)-1-methylpiperidin-3-yl]oxy-4-[4-(trifluoromethyl)phenyl]thieno[2,3-d]pyridazine
PubChem CID174266465
Molecular FormulaC19H18F3N3OS
Molecular Weight393.43 g/mol
Exact Mass393.11
IUPAC Name7-[(3R)-1-methylpiperidin-3-yl]oxy-4-[4-(trifluoromethyl)phenyl]thieno[2,3-d]pyridazine
SMILESCN1CCC[C@@H](Oc2nnc(-c3ccc(C(F)(F)F)cc3)c3ccsc23)C1
InChIInChI=1S/C19H18F3N3OS/c1-25-9-2-3-14(11-25)26-18-17-15(8-10-27-17)16(23-24-18)12-4-6-13(7-5-12)19(20,21)22/h4-8,10,14H,2-3,9,11H2,1H3/t14-/m1/s1
InChIKeyLPAJFBBZMVMOGM-CQSZACIVSA-N
XLogP4.85
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.43
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3R)-1-methylpiperidin-3-yl]-4-[4-(trifluoromethyl)phenyl]-[1,2]thiazolo[4,5-d]pyridazin-7-amine
CID 174266279
2-[7-[(1-methylpiperidin-3-yl)amino]thieno[2,3-d]pyridazin-4-yl]-5-(trifluoromethyl)phenol
CID 166460017
N-[(3R)-1-methylpiperidin-3-yl]-4-[4-(trifluoromethyl)phenyl]furo[2,3-d]pyridazin-7-amine
CID 174266249
N-[(3R)-1-methylpiperidin-3-yl]-7-[4-(trifluoromethyl)phenyl]-[1,3]dioxolo[4,5-d]pyridazin-4-amine
CID 174266260
4-methyl-8-(1-methylpiperidin-3-yl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrido[2,3-c]pyridazine
CID 171826546
methyl-[(1-methylpiperidin-3-yl)methylidene]-[1-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolo[2,3-d]pyridazin-7-yl]azanium
CID 174267667
N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-5-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyridazin-8-amine
CID 170553902
2,3-bis(4-fluorophenyl)-5-(1-methylpiperidin-3-yl)oxypyrazine
CID 143313789
N-[(3R)-1-methylpiperidin-3-yl]-4-[4-(trifluoromethoxy)phenyl]phthalazin-1-amine
CID 170553920
N-(1-cyclobutylpiperidin-3-yl)-4-[4-(trifluoromethyl)phenyl]phthalazin-1-amine
CID 175504874
2-[4-[[(3S)-1-methylpiperidin-3-yl]amino]phthalazin-1-yl]-5-(trifluoromethyl)phenol
CID 171852579
6-chloro-N-methyl-N-(1-methylpiperidin-3-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 102715838

Frequently Asked Questions

What is the IUPAC name of 7-[(3R)-1-methylpiperidin-3-yl]oxy-4-[4-(trifluoromethyl)phenyl]thieno[2,3-d]pyridazine?
The IUPAC name of 7-[(3R)-1-methylpiperidin-3-yl]oxy-4-[4-(trifluoromethyl)phenyl]thieno[2,3-d]pyridazine (CID 174266465) is 7-[(3R)-1-methylpiperidin-3-yl]oxy-4-[4-(trifluoromethyl)phenyl]thieno[2,3-d]pyridazine.
What is the SMILES notation for 7-[(3R)-1-methylpiperidin-3-yl]oxy-4-[4-(trifluoromethyl)phenyl]thieno[2,3-d]pyridazine?
The canonical SMILES for 7-[(3R)-1-methylpiperidin-3-yl]oxy-4-[4-(trifluoromethyl)phenyl]thieno[2,3-d]pyridazine is CN1CCC[C@@H](Oc2nnc(-c3ccc(C(F)(F)F)cc3)c3ccsc23)C1.
What is the InChIKey of 7-[(3R)-1-methylpiperidin-3-yl]oxy-4-[4-(trifluoromethyl)phenyl]thieno[2,3-d]pyridazine?
The InChIKey is LPAJFBBZMVMOGM-CQSZACIVSA-N. The full InChI is InChI=1S/C19H18F3N3OS/c1-25-9-2-3-14(11-25)26-18-17-15(8-10-27-17)16(23-24-18)12-4-6-13(7-5-12)19(20,21)22/h4-8,10,14H,2-3,9,11H2,1H3/t14-/m1/s1.
What are the key properties of 7-[(3R)-1-methylpiperidin-3-yl]oxy-4-[4-(trifluoromethyl)phenyl]thieno[2,3-d]pyridazine?
7-[(3R)-1-methylpiperidin-3-yl]oxy-4-[4-(trifluoromethyl)phenyl]thieno[2,3-d]pyridazine has a molecular weight of 393.43 g/mol, XLogP of 4.85, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3R)-1-methylpiperidin-3-yl]oxy-4-[4-(trifluoromethyl)phenyl]thieno[2,3-d]pyridazine is sourced from PubChem (CID 174266465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).