2-[5-methanimidoyl-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-(1-methylpyrazol-4-yl)phenol

C24H31N7O — CID 153382865

IUPAC2-[5-methanimidoyl-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-(1-methylpyrazol-4-yl)phenol
SMILES[H]/N=C/c1cc(-c2ccc(-c3cnn(C)c3)cc2O)nnc1NC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C24H31N7O/c1-23(2)10-18(11-24(3,4)30-23)27-22-16(12-25)8-20(28-29-22)19-7-6-15(9-21(19)32)17-13-26-31(5)14-17/h6-9,12-14,18,25,30,32H,10-11H2,1-5H3,(H,27,29)/b25-12+
InChIKeyOGPNGYYHJMHKQY-BRJLIKDPSA-N
MW433.56 g/mol
LogP3.97
Rot. Bonds5

About 2-[5-methanimidoyl-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-(1-methylpyrazol-4-yl)phenol

2-[5-methanimidoyl-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-(1-methylpyrazol-4-yl)phenol (PubChem CID 153382865) has the molecular formula C24H31N7O and a molecular weight of 433.56 g/mol. Its IUPAC name is 2-[5-methanimidoyl-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-(1-methylpyrazol-4-yl)phenol.

Molecular Properties

Compound Name2-[5-methanimidoyl-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-(1-methylpyrazol-4-yl)phenol
PubChem CID153382865
Molecular FormulaC24H31N7O
Molecular Weight433.56 g/mol
Exact Mass433.26
IUPAC Name2-[5-methanimidoyl-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-(1-methylpyrazol-4-yl)phenol
SMILES[H]/N=C/c1cc(-c2ccc(-c3cnn(C)c3)cc2O)nnc1NC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C24H31N7O/c1-23(2)10-18(11-24(3,4)30-23)27-22-16(12-25)8-20(28-29-22)19-7-6-15(9-21(19)32)17-13-26-31(5)14-17/h6-9,12-14,18,25,30,32H,10-11H2,1-5H3,(H,27,29)/b25-12+
InChIKeyOGPNGYYHJMHKQY-BRJLIKDPSA-N
XLogP3.97
TPSA111.74 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 53.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-3-yl]-5-[1-(trideuteriomethyl)pyrazol-4-yl]phenol
CID 155772572
6-[2-amino-4-(1-methylpyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine
CID 170899036
5-(6-methoxy-3-pyridinyl)-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol
CID 136626071
5-(2-methyl-1,3-oxazol-5-yl)-2-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol
CID 139536618
formic acid;5-pyridin-2-yl-2-[5-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrazin-2-yl]phenol
CID 139535418
2-[6-[[(1R,2R,3S,5S)-2-fluoro-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-(1-methylpyrazol-4-yl)phenol
CID 162372726
2-[1-[(5R)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[3,4-c]pyridazin-5-yl]-5-(1-methylpyrazol-4-yl)phenol
CID 168845744
2-[3-(3-amino-3-methylpyrrolidin-1-yl)-1,2,4-triazin-6-yl]-5-(1-methylpyrazol-4-yl)phenol
CID 139549307
5-(1H-indazol-7-yl)-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol
CID 136626075
5-(1-methylimidazol-4-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol;hydrochloride
CID 155772539
5-(4-fluoropyrazol-1-yl)-2-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol
CID 139536727
5-(1-methylpyrazol-4-yl)-2-[6-[methyl-(1,2,2,3-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol
CID 175516521

Frequently Asked Questions

What is the IUPAC name of 2-[5-methanimidoyl-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-(1-methylpyrazol-4-yl)phenol?
The IUPAC name of 2-[5-methanimidoyl-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-(1-methylpyrazol-4-yl)phenol (CID 153382865) is 2-[5-methanimidoyl-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-(1-methylpyrazol-4-yl)phenol.
What is the SMILES notation for 2-[5-methanimidoyl-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-(1-methylpyrazol-4-yl)phenol?
The canonical SMILES for 2-[5-methanimidoyl-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-(1-methylpyrazol-4-yl)phenol is [H]/N=C/c1cc(-c2ccc(-c3cnn(C)c3)cc2O)nnc1NC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 2-[5-methanimidoyl-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-(1-methylpyrazol-4-yl)phenol?
The InChIKey is OGPNGYYHJMHKQY-BRJLIKDPSA-N. The full InChI is InChI=1S/C24H31N7O/c1-23(2)10-18(11-24(3,4)30-23)27-22-16(12-25)8-20(28-29-22)19-7-6-15(9-21(19)32)17-13-26-31(5)14-17/h6-9,12-14,18,25,30,32H,10-11H2,1-5H3,(H,27,29)/b25-12+.
What are the key properties of 2-[5-methanimidoyl-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-(1-methylpyrazol-4-yl)phenol?
2-[5-methanimidoyl-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-(1-methylpyrazol-4-yl)phenol has a molecular weight of 433.56 g/mol, XLogP of 3.97, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methanimidoyl-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-(1-methylpyrazol-4-yl)phenol is sourced from PubChem (CID 153382865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).