2-[6-amino-5-[2-[(5-fluoro-2-pyridinyl)amino]butylamino]pyridazin-3-yl]phenol

C19H21FN6O — CID 137029578

IUPAC2-[6-amino-5-[2-[(5-fluoro-2-pyridinyl)amino]butylamino]pyridazin-3-yl]phenol
SMILESCCC(CNc1cc(-c2ccccc2O)nnc1N)Nc1ccc(F)cn1
InChIInChI=1S/C19H21FN6O/c1-2-13(24-18-8-7-12(20)10-23-18)11-22-16-9-15(25-26-19(16)21)14-5-3-4-6-17(14)27/h3-10,13,27H,2,11H2,1H3,(H2,21,26)(H,22,25)(H,23,24)
InChIKeyABQMAEIGVAYINF-UHFFFAOYSA-N
MW368.42 g/mol
LogP3.27
Rot. Bonds7

About 2-[6-amino-5-[2-[(5-fluoro-2-pyridinyl)amino]butylamino]pyridazin-3-yl]phenol

2-[6-amino-5-[2-[(5-fluoro-2-pyridinyl)amino]butylamino]pyridazin-3-yl]phenol (PubChem CID 137029578) has the molecular formula C19H21FN6O and a molecular weight of 368.42 g/mol. Its IUPAC name is 2-[6-amino-5-[2-[(5-fluoro-2-pyridinyl)amino]butylamino]pyridazin-3-yl]phenol.

Molecular Properties

Compound Name2-[6-amino-5-[2-[(5-fluoro-2-pyridinyl)amino]butylamino]pyridazin-3-yl]phenol
PubChem CID137029578
Molecular FormulaC19H21FN6O
Molecular Weight368.42 g/mol
Exact Mass368.18
IUPAC Name2-[6-amino-5-[2-[(5-fluoro-2-pyridinyl)amino]butylamino]pyridazin-3-yl]phenol
SMILESCCC(CNc1cc(-c2ccccc2O)nnc1N)Nc1ccc(F)cn1
InChIInChI=1S/C19H21FN6O/c1-2-13(24-18-8-7-12(20)10-23-18)11-22-16-9-15(25-26-19(16)21)14-5-3-4-6-17(14)27/h3-10,13,27H,2,11H2,1H3,(H2,21,26)(H,22,25)(H,23,24)
InChIKeyABQMAEIGVAYINF-UHFFFAOYSA-N
XLogP3.27
TPSA108.98 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 53.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 2-[6-amino-5-[2-[(5-fluoro-2-pyridinyl)amino]butylamino]pyridazin-3-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-[[(1R,2R,3S,5S)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyrazin-2-yl]-5-(1H-pyrazol-4-yl)phenol
CID 154677055
2-[5-[[(1R,2R,3S,5S)-2-fluoro-9-azabicyclo[3.3.1]nonan-3-yl]-methylamino]pyrazin-2-yl]-5-(1H-pyrazol-4-yl)phenol
CID 162649981
5-fluoro-2-({[(3M)-3-(pyrimidin-4-yl)pyridin-2-yl]amino}methyl)phenol
CID 169452183
4-fluoro-5-imidazol-1-yl-2-[6-[[(1R,3S,5S)-1-(methoxymethyl)-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]phenol
CID 162650904
4-fluoro-5-imidazol-1-yl-2-[6-[[(1S,3R,5R)-1-(methoxymethyl)-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]phenol
CID 162657189
3-[6-[(4-Fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenol
CID 44530402
4-[6-[(4-Fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenol
CID 135961524
2-(6-(methyl(2,2,6,6-tetramethylpiperidin-4-yl)amino)pyridazin-3-yl)-5-(1H-pyrazol-1-yl)phenol
CID 136253041
5-(3-amino-1H-pyrazol-1-yl)-2-(6-(methyl(2,2,6,6-tetramethylpiperidin-4-yl)amino)pyridazin-3-yl)phenol
CID 136377142
US11208399, Example 43
CID 155284538
US11208399, Example 46
CID 155284711
2-({[(2M)-[2,3'-bipyridin]-2'-yl]amino}methyl)-5-fluorophenol
CID 169452184

Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-5-[2-[(5-fluoro-2-pyridinyl)amino]butylamino]pyridazin-3-yl]phenol?
The IUPAC name of 2-[6-amino-5-[2-[(5-fluoro-2-pyridinyl)amino]butylamino]pyridazin-3-yl]phenol (CID 137029578) is 2-[6-amino-5-[2-[(5-fluoro-2-pyridinyl)amino]butylamino]pyridazin-3-yl]phenol.
What is the SMILES notation for 2-[6-amino-5-[2-[(5-fluoro-2-pyridinyl)amino]butylamino]pyridazin-3-yl]phenol?
The canonical SMILES for 2-[6-amino-5-[2-[(5-fluoro-2-pyridinyl)amino]butylamino]pyridazin-3-yl]phenol is CCC(CNc1cc(-c2ccccc2O)nnc1N)Nc1ccc(F)cn1.
What is the InChIKey of 2-[6-amino-5-[2-[(5-fluoro-2-pyridinyl)amino]butylamino]pyridazin-3-yl]phenol?
The InChIKey is ABQMAEIGVAYINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN6O/c1-2-13(24-18-8-7-12(20)10-23-18)11-22-16-9-15(25-26-19(16)21)14-5-3-4-6-17(14)27/h3-10,13,27H,2,11H2,1H3,(H2,21,26)(H,22,25)(H,23,24).
What are the key properties of 2-[6-amino-5-[2-[(5-fluoro-2-pyridinyl)amino]butylamino]pyridazin-3-yl]phenol?
2-[6-amino-5-[2-[(5-fluoro-2-pyridinyl)amino]butylamino]pyridazin-3-yl]phenol has a molecular weight of 368.42 g/mol, XLogP of 3.27, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-amino-5-[2-[(5-fluoro-2-pyridinyl)amino]butylamino]pyridazin-3-yl]phenol is sourced from PubChem (CID 137029578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).