2-[4,5-dimethyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-5-(trifluoromethyl)phenol

C19H23F3N4O — CID 155284639

IUPAC2-[4,5-dimethyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-5-(trifluoromethyl)phenol
SMILESCc1c(N[C@@H]2CCCN(C)C2)nnc(-c2ccc(C(F)(F)F)cc2O)c1C
InChIInChI=1S/C19H23F3N4O/c1-11-12(2)18(23-14-5-4-8-26(3)10-14)25-24-17(11)15-7-6-13(9-16(15)27)19(20,21)22/h6-7,9,14,27H,4-5,8,10H2,1-3H3,(H,23,25)/t14-/m1/s1
InChIKeyMUNKPAUFEPNDGH-CQSZACIVSA-N
MW380.41 g/mol
LogP3.99
Rot. Bonds3

About 2-[4,5-dimethyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-5-(trifluoromethyl)phenol

2-[4,5-dimethyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-5-(trifluoromethyl)phenol (PubChem CID 155284639) has the molecular formula C19H23F3N4O and a molecular weight of 380.41 g/mol. Its IUPAC name is 2-[4,5-dimethyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-5-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-[4,5-dimethyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-5-(trifluoromethyl)phenol
PubChem CID155284639
Molecular FormulaC19H23F3N4O
Molecular Weight380.41 g/mol
Exact Mass380.18
IUPAC Name2-[4,5-dimethyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-5-(trifluoromethyl)phenol
SMILESCc1c(N[C@@H]2CCCN(C)C2)nnc(-c2ccc(C(F)(F)F)cc2O)c1C
InChIInChI=1S/C19H23F3N4O/c1-11-12(2)18(23-14-5-4-8-26(3)10-14)25-24-17(11)15-7-6-13(9-16(15)27)19(20,21)22/h6-7,9,14,27H,4-5,8,10H2,1-3H3,(H,23,25)/t14-/m1/s1
InChIKeyMUNKPAUFEPNDGH-CQSZACIVSA-N
XLogP3.99
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 ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4,5-dimethyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-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-(fluoromethyl)pyridin-2-one
CID 154598827
(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 12
CID 155284666
US11208399, Example 6
CID 155284686
Phenol, 3-(5-methyl-6-((2-(4-morpholinyl)ethyl)amino)-3-pyridazinyl)-, dihydrobromide
CID 6410666

Frequently Asked Questions

What is the IUPAC name of 2-[4,5-dimethyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-5-(trifluoromethyl)phenol?
The IUPAC name of 2-[4,5-dimethyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-5-(trifluoromethyl)phenol (CID 155284639) is 2-[4,5-dimethyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-5-(trifluoromethyl)phenol.
What is the SMILES notation for 2-[4,5-dimethyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-5-(trifluoromethyl)phenol?
The canonical SMILES for 2-[4,5-dimethyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-5-(trifluoromethyl)phenol is Cc1c(N[C@@H]2CCCN(C)C2)nnc(-c2ccc(C(F)(F)F)cc2O)c1C.
What is the InChIKey of 2-[4,5-dimethyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-5-(trifluoromethyl)phenol?
The InChIKey is MUNKPAUFEPNDGH-CQSZACIVSA-N. The full InChI is InChI=1S/C19H23F3N4O/c1-11-12(2)18(23-14-5-4-8-26(3)10-14)25-24-17(11)15-7-6-13(9-16(15)27)19(20,21)22/h6-7,9,14,27H,4-5,8,10H2,1-3H3,(H,23,25)/t14-/m1/s1.
What are the key properties of 2-[4,5-dimethyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-5-(trifluoromethyl)phenol?
2-[4,5-dimethyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-5-(trifluoromethyl)phenol has a molecular weight of 380.41 g/mol, XLogP of 3.99, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,5-dimethyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-5-(trifluoromethyl)phenol is sourced from PubChem (CID 155284639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).