6-[2-amino-4-(1-methylpyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine

C24H33N7 — CID 170899036

IUPAC6-[2-amino-4-(1-methylpyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine
SMILESCN(c1ccc(-c2ccc(-c3cnn(C)c3)cc2N)nn1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C24H33N7/c1-23(2)12-18(13-24(3,4)29-23)31(6)22-10-9-21(27-28-22)19-8-7-16(11-20(19)25)17-14-26-30(5)15-17/h7-11,14-15,18,29H,12-13,25H2,1-6H3
InChIKeyDBKFXXHDJAPERF-UHFFFAOYSA-N
MW419.58 g/mol
LogP3.87
Rot. Bonds4

About 6-[2-amino-4-(1-methylpyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine

6-[2-amino-4-(1-methylpyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine (PubChem CID 170899036) has the molecular formula C24H33N7 and a molecular weight of 419.58 g/mol. Its IUPAC name is 6-[2-amino-4-(1-methylpyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine.

Molecular Properties

Compound Name6-[2-amino-4-(1-methylpyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine
PubChem CID170899036
Molecular FormulaC24H33N7
Molecular Weight419.58 g/mol
Exact Mass419.28
IUPAC Name6-[2-amino-4-(1-methylpyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine
SMILESCN(c1ccc(-c2ccc(-c3cnn(C)c3)cc2N)nn1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C24H33N7/c1-23(2)12-18(13-24(3,4)29-23)31(6)22-10-9-21(27-28-22)19-8-7-16(11-20(19)25)17-14-26-30(5)15-17/h7-11,14-15,18,29H,12-13,25H2,1-6H3
InChIKeyDBKFXXHDJAPERF-UHFFFAOYSA-N
XLogP3.87
TPSA84.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.58
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-(1-methylimidazol-2-yl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol
CID 153483461
5-[3-hydroxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-1H-pyridin-2-one
CID 136633798
5-[3-methyl-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]pyridin-3-ol
CID 170263010
5-(1-methylpyrazol-4-yl)-2-[6-[methyl-(1,2,2,3-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol
CID 175516521
N-methyl-6-(4-pyrimidin-5-ylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine
CID 141392358
4-methoxy-N-[(1-methylpyrazol-4-yl)methyl]-3-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]benzamide
CID 86710687
6-(1-imino-2,3-dihydroinden-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine
CID 170309156
1-methyl-5-[4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-1,3-benzothiazol-7-yl]pyridin-2-one
CID 156845398
6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-2,3-dihydro-1H-inden-5-ol
CID 174268137
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
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
4-(1-methylpyrazol-4-yl)benzene-1,2-diamine
CID 118693272

Frequently Asked Questions

What is the IUPAC name of 6-[2-amino-4-(1-methylpyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine?
The IUPAC name of 6-[2-amino-4-(1-methylpyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine (CID 170899036) is 6-[2-amino-4-(1-methylpyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine.
What is the SMILES notation for 6-[2-amino-4-(1-methylpyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine?
The canonical SMILES for 6-[2-amino-4-(1-methylpyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine is CN(c1ccc(-c2ccc(-c3cnn(C)c3)cc2N)nn1)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 6-[2-amino-4-(1-methylpyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine?
The InChIKey is DBKFXXHDJAPERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N7/c1-23(2)12-18(13-24(3,4)29-23)31(6)22-10-9-21(27-28-22)19-8-7-16(11-20(19)25)17-14-26-30(5)15-17/h7-11,14-15,18,29H,12-13,25H2,1-6H3.
What are the key properties of 6-[2-amino-4-(1-methylpyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine?
6-[2-amino-4-(1-methylpyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine has a molecular weight of 419.58 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-amino-4-(1-methylpyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine is sourced from PubChem (CID 170899036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).