6-[5-chloro-2-methoxy-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine

C24H31ClN6O — CID 86710667

IUPAC6-[5-chloro-2-methoxy-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine
SMILESCOc1cc(-c2cn[nH]c2)c(Cl)cc1-c1ccc(N(C)C2CC(C)(C)NC(C)(C)C2)nn1
InChIInChI=1S/C24H31ClN6O/c1-23(2)11-16(12-24(3,4)30-23)31(5)22-8-7-20(28-29-22)18-9-19(25)17(10-21(18)32-6)15-13-26-27-14-15/h7-10,13-14,16,30H,11-12H2,1-6H3,(H,26,27)
InChIKeyPMCTWTPMZIAWNS-UHFFFAOYSA-N
MW455.01 g/mol
LogP4.94
Rot. Bonds5

About 6-[5-chloro-2-methoxy-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine

6-[5-chloro-2-methoxy-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine (PubChem CID 86710667) has the molecular formula C24H31ClN6O and a molecular weight of 455.01 g/mol. Its IUPAC name is 6-[5-chloro-2-methoxy-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine.

Molecular Properties

Compound Name6-[5-chloro-2-methoxy-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine
PubChem CID86710667
Molecular FormulaC24H31ClN6O
Molecular Weight455.01 g/mol
Exact Mass454.22
IUPAC Name6-[5-chloro-2-methoxy-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine
SMILESCOc1cc(-c2cn[nH]c2)c(Cl)cc1-c1ccc(N(C)C2CC(C)(C)NC(C)(C)C2)nn1
InChIInChI=1S/C24H31ClN6O/c1-23(2)11-16(12-24(3,4)30-23)31(5)22-8-7-20(28-29-22)18-9-19(25)17(10-21(18)32-6)15-13-26-27-14-15/h7-10,13-14,16,30H,11-12H2,1-6H3,(H,26,27)
InChIKeyPMCTWTPMZIAWNS-UHFFFAOYSA-N
XLogP4.94
TPSA78.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.01
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[5-chloro-2-methoxy-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[2,5-dichloro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazin-2-amine
CID 139535579
N-methyl-6-[4-(1H-pyrazol-4-yl)-1,3-benzothiazol-7-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine
CID 156845528
5-[2-methoxy-6-(1H-pyrazol-4-yl)-3-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine
CID 142747406
2-[6-[[(1R,5S)-1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl]-methylamino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol
CID 154598908
5-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine
CID 142747413
5-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine
CID 167524453
N-ethyl-6-[4-(1H-pyrazol-4-yl)-1H-indazol-7-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine
CID 156845394
N-methyl-2-[6-(1H-pyrazol-4-yl)pyridazin-3-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine
CID 162492768
6-(4-imidazo[1,2-a]pyrazin-3-yl-2-methoxyphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine
CID 86710728
5-[3-hydroxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-1H-pyridin-2-one
CID 136633798
6-[2-amino-4-(1-methylpyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine
CID 170899036
N-methyl-6-(4-pyrimidin-5-ylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine
CID 141392358

Frequently Asked Questions

What is the IUPAC name of 6-[5-chloro-2-methoxy-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine?
The IUPAC name of 6-[5-chloro-2-methoxy-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine (CID 86710667) is 6-[5-chloro-2-methoxy-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine.
What is the SMILES notation for 6-[5-chloro-2-methoxy-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine?
The canonical SMILES for 6-[5-chloro-2-methoxy-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine is COc1cc(-c2cn[nH]c2)c(Cl)cc1-c1ccc(N(C)C2CC(C)(C)NC(C)(C)C2)nn1.
What is the InChIKey of 6-[5-chloro-2-methoxy-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine?
The InChIKey is PMCTWTPMZIAWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClN6O/c1-23(2)11-16(12-24(3,4)30-23)31(5)22-8-7-20(28-29-22)18-9-19(25)17(10-21(18)32-6)15-13-26-27-14-15/h7-10,13-14,16,30H,11-12H2,1-6H3,(H,26,27).
What are the key properties of 6-[5-chloro-2-methoxy-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine?
6-[5-chloro-2-methoxy-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine has a molecular weight of 455.01 g/mol, XLogP of 4.94, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-chloro-2-methoxy-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine is sourced from PubChem (CID 86710667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).