5-(1-methylpyrazol-4-yl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol

C47H62N12O2 — CID 137277277

IUPAC5-(1-methylpyrazol-4-yl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol
SMILESCN(c1ccc(-c2ccc(-c3cn[nH]c3)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.CN(c1ccc(-c2ccc(-c3cnn(C)c3)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C24H32N6O.C23H30N6O/c1-23(2)12-18(13-24(3,4)28-23)30(6)22-10-9-20(26-27-22)19-8-7-16(11-21(19)31)17-14-25-29(5)15-17;1-22(2)11-17(12-23(3,4)28-22)29(5)21-9-8-19(26-27-21)18-7-6-15(10-20(18)30)16-13-24-25-14-16/h7-11,14-15,18,28,31H,12-13H2,1-6H3;6-10,13-14,17,28,30H,11-12H2,1-5H3,(H,24,25)
InChIKeyFSIRKCCNNIPPJO-UHFFFAOYSA-N
MW827.10 g/mol
LogP7.98
Rot. Bonds8

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

5-(1-methylpyrazol-4-yl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol (PubChem CID 137277277) has the molecular formula C47H62N12O2 and a molecular weight of 827.10 g/mol. Its IUPAC name is 5-(1-methylpyrazol-4-yl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol.

Molecular Properties

Compound Name5-(1-methylpyrazol-4-yl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol
PubChem CID137277277
Molecular FormulaC47H62N12O2
Molecular Weight827.10 g/mol
Exact Mass826.51
IUPAC Name5-(1-methylpyrazol-4-yl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol
SMILESCN(c1ccc(-c2ccc(-c3cn[nH]c3)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.CN(c1ccc(-c2ccc(-c3cnn(C)c3)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C24H32N6O.C23H30N6O/c1-23(2)12-18(13-24(3,4)28-23)30(6)22-10-9-20(26-27-22)19-8-7-16(11-21(19)31)17-14-25-29(5)15-17;1-22(2)11-17(12-23(3,4)28-22)29(5)21-9-8-19(26-27-21)18-7-6-15(10-20(18)30)16-13-24-25-14-16/h7-11,14-15,18,28,31H,12-13H2,1-6H3;6-10,13-14,17,28,30H,11-12H2,1-5H3,(H,24,25)
InChIKeyFSIRKCCNNIPPJO-UHFFFAOYSA-N
XLogP7.98
TPSA169.06 Ų
H-Bond Donors5
H-Bond Acceptors13
Rotatable Bonds8
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500827.10
LogP ≤ 57.98
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1013

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

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methylpyrazol-4-yl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol?
The IUPAC name of 5-(1-methylpyrazol-4-yl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol (CID 137277277) is 5-(1-methylpyrazol-4-yl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol.
What is the SMILES notation for 5-(1-methylpyrazol-4-yl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol?
The canonical SMILES for 5-(1-methylpyrazol-4-yl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol is CN(c1ccc(-c2ccc(-c3cn[nH]c3)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.CN(c1ccc(-c2ccc(-c3cnn(C)c3)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 5-(1-methylpyrazol-4-yl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol?
The InChIKey is FSIRKCCNNIPPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O.C23H30N6O/c1-23(2)12-18(13-24(3,4)28-23)30(6)22-10-9-20(26-27-22)19-8-7-16(11-21(19)31)17-14-25-29(5)15-17;1-22(2)11-17(12-23(3,4)28-22)29(5)21-9-8-19(26-27-21)18-7-6-15(10-20(18)30)16-13-24-25-14-16/h7-11,14-15,18,28,31H,12-13H2,1-6H3;6-10,13-14,17,28,30H,11-12H2,1-5H3,(H,24,25).
What are the key properties of 5-(1-methylpyrazol-4-yl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol?
5-(1-methylpyrazol-4-yl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol has a molecular weight of 827.10 g/mol, XLogP of 7.98, 8 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylpyrazol-4-yl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol is sourced from PubChem (CID 137277277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).