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

C19H23F3N4O — CID 170381964

IUPAC2-methyl-6-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-3-(trifluoromethyl)phenol
SMILESCc1cc(N[C@@H]2CCCN(C)C2)nnc1-c1ccc(C(F)(F)F)c(C)c1O
InChIInChI=1S/C19H23F3N4O/c1-11-9-16(23-13-5-4-8-26(3)10-13)24-25-17(11)14-6-7-15(19(20,21)22)12(2)18(14)27/h6-7,9,13,27H,4-5,8,10H2,1-3H3,(H,23,24)/t13-/m1/s1
InChIKeyKEMCGWGXGVEVBD-CYBMUJFWSA-N
MW380.41 g/mol
LogP3.99
Rot. Bonds3

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

2-methyl-6-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-3-(trifluoromethyl)phenol (PubChem CID 170381964) has the molecular formula C19H23F3N4O and a molecular weight of 380.41 g/mol. Its IUPAC name is 2-methyl-6-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-3-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-methyl-6-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-3-(trifluoromethyl)phenol
PubChem CID170381964
Molecular FormulaC19H23F3N4O
Molecular Weight380.41 g/mol
Exact Mass380.18
IUPAC Name2-methyl-6-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-3-(trifluoromethyl)phenol
SMILESCc1cc(N[C@@H]2CCCN(C)C2)nnc1-c1ccc(C(F)(F)F)c(C)c1O
InChIInChI=1S/C19H23F3N4O/c1-11-9-16(23-13-5-4-8-26(3)10-13)24-25-17(11)14-6-7-15(19(20,21)22)12(2)18(14)27/h6-7,9,13,27H,4-5,8,10H2,1-3H3,(H,23,24)/t13-/m1/s1
InChIKeyKEMCGWGXGVEVBD-CYBMUJFWSA-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

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Related Compounds

5-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-2,3-dihydro-1H-inden-4-ol
CID 164544830
2-[4-methyl-6-[[(3S)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-5-methylsulfonylphenol
CID 170442521
6-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-2,3-dihydro-1H-inden-5-ol
CID 164544832
2-[4-methyl-6-[[(3S)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-5-phenylphenol
CID 170442310
2-hydroxy-3-[4-methyl-6-[[(3R)-piperidin-3-yl]amino]pyridazin-3-yl]-6-(trifluoromethyl)benzoic acid
CID 178140922
6-(4-chloro-2-methoxyphenyl)-5-methyl-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine
CID 167137954
6-(2-methoxy-4-methylsulfonylphenyl)-5-methyl-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine
CID 171586047
2-[6-[[(3R)-1-(2-aminoethyl)piperidin-3-yl]amino]-4-methylpyridazin-3-yl]-5-(trifluoromethyl)phenol;hydrochloride
CID 171837886
2-[6-[[(3R)-1-(azetidin-3-ylmethyl)piperidin-3-yl]amino]-4-methylpyridazin-3-yl]-5-(trifluoromethyl)phenol
CID 171838046
6-(3-methoxy-4-pyridinyl)-5-methyl-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine
CID 167137767
5-[6-[(1-cyclobutylpiperidin-3-yl)amino]-4-methylpyridazin-3-yl]-2,3-dihydro-1H-inden-4-ol
CID 170442079
3-[(3R)-3-[[6-[2-hydroxy-4-(trifluoromethyl)phenyl]-5-methylpyridazin-3-yl]amino]piperidin-1-yl]propanoic acid
CID 171838220

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-3-(trifluoromethyl)phenol?
The IUPAC name of 2-methyl-6-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-3-(trifluoromethyl)phenol (CID 170381964) is 2-methyl-6-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-3-(trifluoromethyl)phenol.
What is the SMILES notation for 2-methyl-6-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-3-(trifluoromethyl)phenol?
The canonical SMILES for 2-methyl-6-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-3-(trifluoromethyl)phenol is Cc1cc(N[C@@H]2CCCN(C)C2)nnc1-c1ccc(C(F)(F)F)c(C)c1O.
What is the InChIKey of 2-methyl-6-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-3-(trifluoromethyl)phenol?
The InChIKey is KEMCGWGXGVEVBD-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H23F3N4O/c1-11-9-16(23-13-5-4-8-26(3)10-13)24-25-17(11)14-6-7-15(19(20,21)22)12(2)18(14)27/h6-7,9,13,27H,4-5,8,10H2,1-3H3,(H,23,24)/t13-/m1/s1.
What are the key properties of 2-methyl-6-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-3-(trifluoromethyl)phenol?
2-methyl-6-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-3-(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-methyl-6-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-3-(trifluoromethyl)phenol is sourced from PubChem (CID 170381964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).