5-chloro-2-[6-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;3-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]naphthalen-2-ol

C43H55ClN8O2 — CID 158496521

IUPAC5-chloro-2-[6-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;3-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]naphthalen-2-ol
SMILESCC1(C)CC(Nc2ccc(-c3cc4ccccc4cc3O)nn2)CC(C)(C)N1.CN1C(C)(C)CC(Nc2ccc(-c3ccc(Cl)cc3O)nn2)CC1(C)C
InChIInChI=1S/C23H28N4O.C20H27ClN4O/c1-22(2)13-17(14-23(3,4)27-22)24-21-10-9-19(25-26-21)18-11-15-7-5-6-8-16(15)12-20(18)28;1-19(2)11-14(12-20(3,4)25(19)5)22-18-9-8-16(23-24-18)15-7-6-13(21)10-17(15)26/h5-12,17,27-28H,13-14H2,1-4H3,(H,24,26);6-10,14,26H,11-12H2,1-5H3,(H,22,24)
InChIKeyHJIYRWZRVFWQIH-UHFFFAOYSA-N
MW751.42 g/mol
LogP9.29
Rot. Bonds6

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

5-chloro-2-[6-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;3-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]naphthalen-2-ol (PubChem CID 158496521) has the molecular formula C43H55ClN8O2 and a molecular weight of 751.42 g/mol. Its IUPAC name is 5-chloro-2-[6-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;3-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]naphthalen-2-ol.

Molecular Properties

Compound Name5-chloro-2-[6-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;3-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]naphthalen-2-ol
PubChem CID158496521
Molecular FormulaC43H55ClN8O2
Molecular Weight751.42 g/mol
Exact Mass750.41
IUPAC Name5-chloro-2-[6-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;3-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]naphthalen-2-ol
SMILESCC1(C)CC(Nc2ccc(-c3cc4ccccc4cc3O)nn2)CC(C)(C)N1.CN1C(C)(C)CC(Nc2ccc(-c3ccc(Cl)cc3O)nn2)CC1(C)C
InChIInChI=1S/C23H28N4O.C20H27ClN4O/c1-22(2)13-17(14-23(3,4)27-22)24-21-10-9-19(25-26-21)18-11-15-7-5-6-8-16(15)12-20(18)28;1-19(2)11-14(12-20(3,4)25(19)5)22-18-9-8-16(23-24-18)15-7-6-13(21)10-17(15)26/h5-12,17,27-28H,13-14H2,1-4H3,(H,24,26);6-10,14,26H,11-12H2,1-5H3,(H,22,24)
InChIKeyHJIYRWZRVFWQIH-UHFFFAOYSA-N
XLogP9.29
TPSA131.35 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500751.42
LogP ≤ 59.29
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

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

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Related Compounds

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
5-(1H-indazol-7-yl)-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol
CID 136626075
5-(6-methoxy-3-pyridinyl)-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol
CID 136626071
7-methoxy-3-[6-[methyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyridazin-3-yl]naphthalen-2-ol;7-methoxy-3-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]naphthalen-2-ol
CID 159638599
2-chloro-6-ethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine
CID 82460532
4-chloro-2-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]phenol
CID 28675051
2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-1-benzothiophene-5-carbonitrile
CID 171740085
(E)-but-2-enedioic acid;5-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridin-2-amine
CID 159577215
N-(2,2,6,6-tetramethylpiperidin-4-yl)-6-(trifluoromethyl)pyridazin-3-amine
CID 133433180
7-methyl-3-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyridazin-3-yl]naphthalen-2-ol
CID 137157841
5,6-bis(4-chlorophenyl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrazin-2-amine
CID 71200235
formic acid;5-pyridin-2-yl-2-[5-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrazin-2-yl]phenol
CID 139535418

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[6-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;3-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]naphthalen-2-ol?
The IUPAC name of 5-chloro-2-[6-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;3-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]naphthalen-2-ol (CID 158496521) is 5-chloro-2-[6-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;3-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]naphthalen-2-ol.
What is the SMILES notation for 5-chloro-2-[6-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;3-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]naphthalen-2-ol?
The canonical SMILES for 5-chloro-2-[6-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;3-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]naphthalen-2-ol is CC1(C)CC(Nc2ccc(-c3cc4ccccc4cc3O)nn2)CC(C)(C)N1.CN1C(C)(C)CC(Nc2ccc(-c3ccc(Cl)cc3O)nn2)CC1(C)C.
What is the InChIKey of 5-chloro-2-[6-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;3-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]naphthalen-2-ol?
The InChIKey is HJIYRWZRVFWQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O.C20H27ClN4O/c1-22(2)13-17(14-23(3,4)27-22)24-21-10-9-19(25-26-21)18-11-15-7-5-6-8-16(15)12-20(18)28;1-19(2)11-14(12-20(3,4)25(19)5)22-18-9-8-16(23-24-18)15-7-6-13(21)10-17(15)26/h5-12,17,27-28H,13-14H2,1-4H3,(H,24,26);6-10,14,26H,11-12H2,1-5H3,(H,22,24).
What are the key properties of 5-chloro-2-[6-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;3-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]naphthalen-2-ol?
5-chloro-2-[6-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;3-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]naphthalen-2-ol has a molecular weight of 751.42 g/mol, XLogP of 9.29, 6 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[6-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;3-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]naphthalen-2-ol is sourced from PubChem (CID 158496521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).