2-[6-[2-hydroxyethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-4-pyrazol-1-ylphenol

C47H62N12O3 — CID 157137593

IUPAC2-[6-[2-hydroxyethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-4-pyrazol-1-ylphenol
SMILESCC1(C)CC(N(CCO)c2ccc(-c3ccc(-n4cccn4)cc3O)nn2)CC(C)(C)N1.CN(c1ccc(-c2cc(-n3cccn3)ccc2O)nn1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C24H32N6O2.C23H30N6O/c1-23(2)15-18(16-24(3,4)28-23)29(12-13-31)22-9-8-20(26-27-22)19-7-6-17(14-21(19)32)30-11-5-10-25-30;1-22(2)14-17(15-23(3,4)27-22)28(5)21-10-8-19(25-26-21)18-13-16(7-9-20(18)30)29-12-6-11-24-29/h5-11,14,18,28,31-32H,12-13,15-16H2,1-4H3;6-13,17,27,30H,14-15H2,1-5H3
InChIKeyAJUOGTMIYXMTPT-UHFFFAOYSA-N
MW843.09 g/mol
LogP6.92
Rot. Bonds10

About 2-[6-[2-hydroxyethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-4-pyrazol-1-ylphenol

2-[6-[2-hydroxyethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-4-pyrazol-1-ylphenol (PubChem CID 157137593) has the molecular formula C47H62N12O3 and a molecular weight of 843.09 g/mol. Its IUPAC name is 2-[6-[2-hydroxyethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-4-pyrazol-1-ylphenol.

Molecular Properties

Compound Name2-[6-[2-hydroxyethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-4-pyrazol-1-ylphenol
PubChem CID157137593
Molecular FormulaC47H62N12O3
Molecular Weight843.09 g/mol
Exact Mass842.51
IUPAC Name2-[6-[2-hydroxyethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-4-pyrazol-1-ylphenol
SMILESCC1(C)CC(N(CCO)c2ccc(-c3ccc(-n4cccn4)cc3O)nn2)CC(C)(C)N1.CN(c1ccc(-c2cc(-n3cccn3)ccc2O)nn1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C24H32N6O2.C23H30N6O/c1-23(2)15-18(16-24(3,4)28-23)29(12-13-31)22-9-8-20(26-27-22)19-7-6-17(14-21(19)32)30-11-5-10-25-30;1-22(2)14-17(15-23(3,4)27-22)28(5)21-10-8-19(25-26-21)18-13-16(7-9-20(18)30)29-12-6-11-24-29/h5-11,14,18,28,31-32H,12-13,15-16H2,1-4H3;6-13,17,27,30H,14-15H2,1-5H3
InChIKeyAJUOGTMIYXMTPT-UHFFFAOYSA-N
XLogP6.92
TPSA178.43 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds10
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500843.09
LogP ≤ 56.92
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Analyze 2-[6-[2-hydroxyethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-4-pyrazol-1-ylphenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[2-hydroxyethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-4-pyrazol-1-ylphenol?
The IUPAC name of 2-[6-[2-hydroxyethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-4-pyrazol-1-ylphenol (CID 157137593) is 2-[6-[2-hydroxyethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-4-pyrazol-1-ylphenol.
What is the SMILES notation for 2-[6-[2-hydroxyethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-4-pyrazol-1-ylphenol?
The canonical SMILES for 2-[6-[2-hydroxyethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-4-pyrazol-1-ylphenol is CC1(C)CC(N(CCO)c2ccc(-c3ccc(-n4cccn4)cc3O)nn2)CC(C)(C)N1.CN(c1ccc(-c2cc(-n3cccn3)ccc2O)nn1)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 2-[6-[2-hydroxyethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-4-pyrazol-1-ylphenol?
The InChIKey is AJUOGTMIYXMTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O2.C23H30N6O/c1-23(2)15-18(16-24(3,4)28-23)29(12-13-31)22-9-8-20(26-27-22)19-7-6-17(14-21(19)32)30-11-5-10-25-30;1-22(2)14-17(15-23(3,4)27-22)28(5)21-10-8-19(25-26-21)18-13-16(7-9-20(18)30)29-12-6-11-24-29/h5-11,14,18,28,31-32H,12-13,15-16H2,1-4H3;6-13,17,27,30H,14-15H2,1-5H3.
What are the key properties of 2-[6-[2-hydroxyethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-4-pyrazol-1-ylphenol?
2-[6-[2-hydroxyethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-4-pyrazol-1-ylphenol has a molecular weight of 843.09 g/mol, XLogP of 6.92, 10 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[2-hydroxyethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-4-pyrazol-1-ylphenol is sourced from PubChem (CID 157137593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).