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

C42H55ClN10O2 — CID 137197195

IUPAC5-chloro-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;5-pyrazol-1-yl-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol
SMILESCC1(C)CC(Nc2ccc(-c3ccc(-n4cccn4)cc3O)nn2)CC(C)(C)N1.CN(c1ccc(-c2ccc(Cl)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C22H28N6O.C20H27ClN4O/c1-21(2)13-15(14-22(3,4)27-21)24-20-9-8-18(25-26-20)17-7-6-16(12-19(17)29)28-11-5-10-23-28;1-19(2)11-14(12-20(3,4)24-19)25(5)18-9-8-16(22-23-18)15-7-6-13(21)10-17(15)26/h5-12,15,27,29H,13-14H2,1-4H3,(H,24,26);6-10,14,24,26H,11-12H2,1-5H3
InChIKeyWVJWWQCGIFQOSL-UHFFFAOYSA-N
MW767.42 g/mol
LogP8.00
Rot. Bonds7

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

5-chloro-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;5-pyrazol-1-yl-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol (PubChem CID 137197195) has the molecular formula C42H55ClN10O2 and a molecular weight of 767.42 g/mol. Its IUPAC name is 5-chloro-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;5-pyrazol-1-yl-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol.

Molecular Properties

Compound Name5-chloro-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;5-pyrazol-1-yl-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol
PubChem CID137197195
Molecular FormulaC42H55ClN10O2
Molecular Weight767.42 g/mol
Exact Mass766.42
IUPAC Name5-chloro-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;5-pyrazol-1-yl-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol
SMILESCC1(C)CC(Nc2ccc(-c3ccc(-n4cccn4)cc3O)nn2)CC(C)(C)N1.CN(c1ccc(-c2ccc(Cl)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C22H28N6O.C20H27ClN4O/c1-21(2)13-15(14-22(3,4)27-21)24-20-9-8-18(25-26-20)17-7-6-16(12-19(17)29)28-11-5-10-23-28;1-19(2)11-14(12-20(3,4)24-19)25(5)18-9-8-16(22-23-18)15-7-6-13(21)10-17(15)26/h5-12,15,27,29H,13-14H2,1-4H3,(H,24,26);6-10,14,24,26H,11-12H2,1-5H3
InChIKeyWVJWWQCGIFQOSL-UHFFFAOYSA-N
XLogP8.00
TPSA149.17 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500767.42
LogP ≤ 58.00
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;5-pyrazol-1-yl-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol?
The IUPAC name of 5-chloro-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;5-pyrazol-1-yl-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol (CID 137197195) is 5-chloro-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;5-pyrazol-1-yl-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol.
What is the SMILES notation for 5-chloro-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;5-pyrazol-1-yl-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol?
The canonical SMILES for 5-chloro-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;5-pyrazol-1-yl-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol is CC1(C)CC(Nc2ccc(-c3ccc(-n4cccn4)cc3O)nn2)CC(C)(C)N1.CN(c1ccc(-c2ccc(Cl)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 5-chloro-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;5-pyrazol-1-yl-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol?
The InChIKey is WVJWWQCGIFQOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O.C20H27ClN4O/c1-21(2)13-15(14-22(3,4)27-21)24-20-9-8-18(25-26-20)17-7-6-16(12-19(17)29)28-11-5-10-23-28;1-19(2)11-14(12-20(3,4)24-19)25(5)18-9-8-16(22-23-18)15-7-6-13(21)10-17(15)26/h5-12,15,27,29H,13-14H2,1-4H3,(H,24,26);6-10,14,24,26H,11-12H2,1-5H3.
What are the key properties of 5-chloro-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;5-pyrazol-1-yl-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol?
5-chloro-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;5-pyrazol-1-yl-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol has a molecular weight of 767.42 g/mol, XLogP of 8.00, 7 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;5-pyrazol-1-yl-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol is sourced from PubChem (CID 137197195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).