5-(4-fluorophenyl)-2-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]phenol

C23H25FN4O — CID 170442473

IUPAC5-(4-fluorophenyl)-2-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]phenol
SMILESCc1cc(N[C@@H]2CCCN(C)C2)nnc1-c1ccc(-c2ccc(F)cc2)cc1O
InChIInChI=1S/C23H25FN4O/c1-15-12-22(25-19-4-3-11-28(2)14-19)26-27-23(15)20-10-7-17(13-21(20)29)16-5-8-18(24)9-6-16/h5-10,12-13,19,29H,3-4,11,14H2,1-2H3,(H,25,26)/t19-/m1/s1
InChIKeyZSRJFTLOEAHIKN-LJQANCHMSA-N
MW392.48 g/mol
LogP4.47
Rot. Bonds4

About 5-(4-fluorophenyl)-2-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]phenol

5-(4-fluorophenyl)-2-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]phenol (PubChem CID 170442473) has the molecular formula C23H25FN4O and a molecular weight of 392.48 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-2-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]phenol.

Molecular Properties

Compound Name5-(4-fluorophenyl)-2-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]phenol
PubChem CID170442473
Molecular FormulaC23H25FN4O
Molecular Weight392.48 g/mol
Exact Mass392.20
IUPAC Name5-(4-fluorophenyl)-2-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]phenol
SMILESCc1cc(N[C@@H]2CCCN(C)C2)nnc1-c1ccc(-c2ccc(F)cc2)cc1O
InChIInChI=1S/C23H25FN4O/c1-15-12-22(25-19-4-3-11-28(2)14-19)26-27-23(15)20-10-7-17(13-21(20)29)16-5-8-18(24)9-6-16/h5-10,12-13,19,29H,3-4,11,14H2,1-2H3,(H,25,26)/t19-/m1/s1
InChIKeyZSRJFTLOEAHIKN-LJQANCHMSA-N
XLogP4.47
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(4-fluorophenyl)-2-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]phenol with MolForge

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Related Compounds

Moxiraprine
CID 71258
(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
Nvs-SM2
CID 136598218
2-[6-[[(1R,5S)-9-azabicyclo[3.3.1]nonan-3-yl]-methylamino]pyridazin-3-yl]-4-fluoro-5-(1H-pyrazol-4-yl)phenol
CID 137464784
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

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-2-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]phenol?
The IUPAC name of 5-(4-fluorophenyl)-2-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]phenol (CID 170442473) is 5-(4-fluorophenyl)-2-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]phenol.
What is the SMILES notation for 5-(4-fluorophenyl)-2-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]phenol?
The canonical SMILES for 5-(4-fluorophenyl)-2-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]phenol is Cc1cc(N[C@@H]2CCCN(C)C2)nnc1-c1ccc(-c2ccc(F)cc2)cc1O.
What is the InChIKey of 5-(4-fluorophenyl)-2-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]phenol?
The InChIKey is ZSRJFTLOEAHIKN-LJQANCHMSA-N. The full InChI is InChI=1S/C23H25FN4O/c1-15-12-22(25-19-4-3-11-28(2)14-19)26-27-23(15)20-10-7-17(13-21(20)29)16-5-8-18(24)9-6-16/h5-10,12-13,19,29H,3-4,11,14H2,1-2H3,(H,25,26)/t19-/m1/s1.
What are the key properties of 5-(4-fluorophenyl)-2-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]phenol?
5-(4-fluorophenyl)-2-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]phenol has a molecular weight of 392.48 g/mol, XLogP of 4.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-2-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]phenol is sourced from PubChem (CID 170442473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).