5-(2-methoxy-4-pyrazol-1-ylphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol

C45H59N11O2S — CID 158285806

IUPAC5-(2-methoxy-4-pyrazol-1-ylphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol
SMILESCN(c1ccc(-c2cc3ncccc3cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.COc1cc(-n2cccn2)ccc1-c1nnc(N(C)C2CC(C)(C)NC(C)(C)C2)s1
InChIInChI=1S/C23H29N5O.C22H30N6OS/c1-22(2)13-16(14-23(3,4)27-22)28(5)21-9-8-18(25-26-21)17-12-19-15(11-20(17)29)7-6-10-24-19;1-21(2)13-16(14-22(3,4)26-21)27(5)20-25-24-19(30-20)17-9-8-15(12-18(17)29-6)28-11-7-10-23-28/h6-12,16,27,29H,13-14H2,1-5H3;7-12,16,26H,13-14H2,1-6H3
InChIKeyGKTPDCJMEYWTKN-UHFFFAOYSA-N
MW818.11 g/mol
LogP8.29
Rot. Bonds8

About 5-(2-methoxy-4-pyrazol-1-ylphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol

5-(2-methoxy-4-pyrazol-1-ylphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol (PubChem CID 158285806) has the molecular formula C45H59N11O2S and a molecular weight of 818.11 g/mol. Its IUPAC name is 5-(2-methoxy-4-pyrazol-1-ylphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol.

Molecular Properties

Compound Name5-(2-methoxy-4-pyrazol-1-ylphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol
PubChem CID158285806
Molecular FormulaC45H59N11O2S
Molecular Weight818.11 g/mol
Exact Mass817.46
IUPAC Name5-(2-methoxy-4-pyrazol-1-ylphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol
SMILESCN(c1ccc(-c2cc3ncccc3cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.COc1cc(-n2cccn2)ccc1-c1nnc(N(C)C2CC(C)(C)NC(C)(C)C2)s1
InChIInChI=1S/C23H29N5O.C22H30N6OS/c1-22(2)13-16(14-23(3,4)27-22)28(5)21-9-8-18(25-26-21)17-12-19-15(11-20(17)29)7-6-10-24-19;1-21(2)13-16(14-22(3,4)26-21)27(5)20-25-24-19(30-20)17-9-8-15(12-18(17)29-6)28-11-7-10-23-28/h6-12,16,27,29H,13-14H2,1-5H3;7-12,16,26H,13-14H2,1-6H3
InChIKeyGKTPDCJMEYWTKN-UHFFFAOYSA-N
XLogP8.29
TPSA142.27 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500818.11
LogP ≤ 58.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Analyze 5-(2-methoxy-4-pyrazol-1-ylphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol with MolForge

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Related Compounds

6-(6-methoxyquinolin-7-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol
CID 136954651
4-Methoxy-7-[6-[methyl(2,2,6,6-tetramethyl-4-piperidinyl)amino]-3-pyridazinyl]-6-quinolinol
CID 136954655
5-[2-methoxy-4-(2-methoxy-4-pyridinyl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[2-methoxy-4-(6-methoxy-3-pyridinyl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine
CID 156332608
2-[6-(2,6-dimethylpiperidin-4-yl)oxypyridazin-3-yl]-5-pyrazol-1-ylphenol;N-methyl-6-(2-methylindazol-5-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine
CID 156579778
5-(7-methoxyquinolin-6-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;6-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]quinolin-7-ol
CID 157118651
4-(Dimethylamino)-2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;4-ethoxy-2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;4-methoxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol;2-methyl-4-(1-methylpyrazol-4-yl)-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-(oxan-4-yl)quinolin-7-ol;7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoxalin-6-ol
CID 157129842
4-Methoxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol;7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoxalin-6-ol
CID 157186950
6-[6-[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyridazin-3-yl]quinolin-7-ol;2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;7-[6-[methyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-6-ol;6-[6-[methyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-6-ol;7-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]isoquinolin-6-ol
CID 157843765
4-chloro-2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;4-chloro-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol;5-(2-methoxy-4-pyrazol-1-ylphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;3-methyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoxalin-6-ol;7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol;6-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]naphthalen-2-ol
CID 158196288
5-(2-fluoro-4-isocyanophenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(4-isocyano-2-methoxyphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(7-methoxyquinolin-6-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;6-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]quinolin-7-ol;2-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)-5-pyrazol-1-ylphenol
CID 159846560
4-chloro-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol;5-(2-methoxy-4-pyrazol-1-ylphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol;6-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]naphthalen-2-ol
CID 160799868
5-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(3-methoxynaphthalen-2-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(2-methoxy-4-pyrazol-1-ylphenyl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(2-methoxyquinolin-3-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine
CID 160809041

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxy-4-pyrazol-1-ylphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol?
The IUPAC name of 5-(2-methoxy-4-pyrazol-1-ylphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol (CID 158285806) is 5-(2-methoxy-4-pyrazol-1-ylphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol.
What is the SMILES notation for 5-(2-methoxy-4-pyrazol-1-ylphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol?
The canonical SMILES for 5-(2-methoxy-4-pyrazol-1-ylphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol is CN(c1ccc(-c2cc3ncccc3cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.COc1cc(-n2cccn2)ccc1-c1nnc(N(C)C2CC(C)(C)NC(C)(C)C2)s1.
What is the InChIKey of 5-(2-methoxy-4-pyrazol-1-ylphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol?
The InChIKey is GKTPDCJMEYWTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O.C22H30N6OS/c1-22(2)13-16(14-23(3,4)27-22)28(5)21-9-8-18(25-26-21)17-12-19-15(11-20(17)29)7-6-10-24-19;1-21(2)13-16(14-22(3,4)26-21)27(5)20-25-24-19(30-20)17-9-8-15(12-18(17)29-6)28-11-7-10-23-28/h6-12,16,27,29H,13-14H2,1-5H3;7-12,16,26H,13-14H2,1-6H3.
What are the key properties of 5-(2-methoxy-4-pyrazol-1-ylphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol?
5-(2-methoxy-4-pyrazol-1-ylphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol has a molecular weight of 818.11 g/mol, XLogP of 8.29, 8 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxy-4-pyrazol-1-ylphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol is sourced from PubChem (CID 158285806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).