2-[6-[(1,3-dimethylpiperidin-3-yl)amino]pyridazin-3-yl]-3-methyl-5-(trifluoromethyl)phenol

C19H23F3N4O — CID 155284725

IUPAC2-[6-[(1,3-dimethylpiperidin-3-yl)amino]pyridazin-3-yl]-3-methyl-5-(trifluoromethyl)phenol
SMILESCc1cc(C(F)(F)F)cc(O)c1-c1ccc(NC2(C)CCCN(C)C2)nn1
InChIInChI=1S/C19H23F3N4O/c1-12-9-13(19(20,21)22)10-15(27)17(12)14-5-6-16(25-24-14)23-18(2)7-4-8-26(3)11-18/h5-6,9-10,27H,4,7-8,11H2,1-3H3,(H,23,25)
InChIKeyZCATVVQILOQPJR-UHFFFAOYSA-N
MW380.41 g/mol
LogP4.07
Rot. Bonds3

About 2-[6-[(1,3-dimethylpiperidin-3-yl)amino]pyridazin-3-yl]-3-methyl-5-(trifluoromethyl)phenol

2-[6-[(1,3-dimethylpiperidin-3-yl)amino]pyridazin-3-yl]-3-methyl-5-(trifluoromethyl)phenol (PubChem CID 155284725) has the molecular formula C19H23F3N4O and a molecular weight of 380.41 g/mol. Its IUPAC name is 2-[6-[(1,3-dimethylpiperidin-3-yl)amino]pyridazin-3-yl]-3-methyl-5-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-[6-[(1,3-dimethylpiperidin-3-yl)amino]pyridazin-3-yl]-3-methyl-5-(trifluoromethyl)phenol
PubChem CID155284725
Molecular FormulaC19H23F3N4O
Molecular Weight380.41 g/mol
Exact Mass380.18
IUPAC Name2-[6-[(1,3-dimethylpiperidin-3-yl)amino]pyridazin-3-yl]-3-methyl-5-(trifluoromethyl)phenol
SMILESCc1cc(C(F)(F)F)cc(O)c1-c1ccc(NC2(C)CCCN(C)C2)nn1
InChIInChI=1S/C19H23F3N4O/c1-12-9-13(19(20,21)22)10-15(27)17(12)14-5-6-16(25-24-14)23-18(2)7-4-8-26(3)11-18/h5-6,9-10,27H,4,7-8,11H2,1-3H3,(H,23,25)
InChIKeyZCATVVQILOQPJR-UHFFFAOYSA-N
XLogP4.07
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[6-[(1,3-dimethylpiperidin-3-yl)amino]pyridazin-3-yl]-3-methyl-5-(trifluoromethyl)phenol with MolForge

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Related Compounds

(R)-2-(6-((1-Ethylpiperidin-3-yl)amino)pyridazin-3-yl)-3-methyl-5-(trifluoromethyl)phenol
CID 155284649
US11208399, Example 4
CID 155284580
US11208399, Example 53
CID 155284733
2-{6-[2-(8-Aza-bicyclo[3.2.1]oct-8-yl)-ethylamino]-4-methyl-pyridazin-3-yl}-phenol
CID 135525247
5-Fluoro-2-{6-[methyl-(2,2,6,6-tetramethyl-piperidin-4-yl)-amino]-pyridazin-3-yl}-phenol
CID 136253018
3-Hydroxy-4-(6-(methyl(2,2,6,6-tetramethylpiperidin-4-yl)amino)pyridazin-3-yl)benzonitrile
CID 136253042
3-[6-[Methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]naphthalen-2-ol
CID 136253058
4-[4-[6-[[(1R,5S)-1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl]-methylamino]pyridazin-3-yl]-2-fluoro-5-hydroxyphenyl]-1-methylpyridin-2-one
CID 154598823
4-[4-[6-[[(1R,5S)-1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl]-methylamino]pyridazin-3-yl]-2-fluoro-5-hydroxyphenyl]-1-(fluoromethyl)pyridin-2-one
CID 154598827
US11208399, Example 46
CID 155284711
(E)-3-[4-[6-[[(1R,5S)-1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl]-methylamino]pyridazin-3-yl]-2-fluoro-5-hydroxyphenyl]-N-methylprop-2-enamide
CID 155386572
US11208399, Example 48
CID 155284639

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(1,3-dimethylpiperidin-3-yl)amino]pyridazin-3-yl]-3-methyl-5-(trifluoromethyl)phenol?
The IUPAC name of 2-[6-[(1,3-dimethylpiperidin-3-yl)amino]pyridazin-3-yl]-3-methyl-5-(trifluoromethyl)phenol (CID 155284725) is 2-[6-[(1,3-dimethylpiperidin-3-yl)amino]pyridazin-3-yl]-3-methyl-5-(trifluoromethyl)phenol.
What is the SMILES notation for 2-[6-[(1,3-dimethylpiperidin-3-yl)amino]pyridazin-3-yl]-3-methyl-5-(trifluoromethyl)phenol?
The canonical SMILES for 2-[6-[(1,3-dimethylpiperidin-3-yl)amino]pyridazin-3-yl]-3-methyl-5-(trifluoromethyl)phenol is Cc1cc(C(F)(F)F)cc(O)c1-c1ccc(NC2(C)CCCN(C)C2)nn1.
What is the InChIKey of 2-[6-[(1,3-dimethylpiperidin-3-yl)amino]pyridazin-3-yl]-3-methyl-5-(trifluoromethyl)phenol?
The InChIKey is ZCATVVQILOQPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N4O/c1-12-9-13(19(20,21)22)10-15(27)17(12)14-5-6-16(25-24-14)23-18(2)7-4-8-26(3)11-18/h5-6,9-10,27H,4,7-8,11H2,1-3H3,(H,23,25).
What are the key properties of 2-[6-[(1,3-dimethylpiperidin-3-yl)amino]pyridazin-3-yl]-3-methyl-5-(trifluoromethyl)phenol?
2-[6-[(1,3-dimethylpiperidin-3-yl)amino]pyridazin-3-yl]-3-methyl-5-(trifluoromethyl)phenol has a molecular weight of 380.41 g/mol, XLogP of 4.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(1,3-dimethylpiperidin-3-yl)amino]pyridazin-3-yl]-3-methyl-5-(trifluoromethyl)phenol is sourced from PubChem (CID 155284725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).