6-(4-imidazo[1,2-a]pyrazin-3-yl-2-methoxyphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine

C27H33N7O — CID 86710728

IUPAC6-(4-imidazo[1,2-a]pyrazin-3-yl-2-methoxyphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine
SMILESCOc1cc(-c2cnc3cnccn23)ccc1-c1ccc(N(C)C2CC(C)(C)NC(C)(C)C2)nn1
InChIInChI=1S/C27H33N7O/c1-26(2)14-19(15-27(3,4)32-26)33(5)24-10-9-21(30-31-24)20-8-7-18(13-23(20)35-6)22-16-29-25-17-28-11-12-34(22)25/h7-13,16-17,19,32H,14-15H2,1-6H3
InChIKeyONARYKBJHAJVBP-UHFFFAOYSA-N
MW471.61 g/mol
LogP4.61
Rot. Bonds5

About 6-(4-imidazo[1,2-a]pyrazin-3-yl-2-methoxyphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine

6-(4-imidazo[1,2-a]pyrazin-3-yl-2-methoxyphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine (PubChem CID 86710728) has the molecular formula C27H33N7O and a molecular weight of 471.61 g/mol. Its IUPAC name is 6-(4-imidazo[1,2-a]pyrazin-3-yl-2-methoxyphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine.

Molecular Properties

Compound Name6-(4-imidazo[1,2-a]pyrazin-3-yl-2-methoxyphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine
PubChem CID86710728
Molecular FormulaC27H33N7O
Molecular Weight471.61 g/mol
Exact Mass471.27
IUPAC Name6-(4-imidazo[1,2-a]pyrazin-3-yl-2-methoxyphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine
SMILESCOc1cc(-c2cnc3cnccn23)ccc1-c1ccc(N(C)C2CC(C)(C)NC(C)(C)C2)nn1
InChIInChI=1S/C27H33N7O/c1-26(2)14-19(15-27(3,4)32-26)33(5)24-10-9-21(30-31-24)20-8-7-18(13-23(20)35-6)22-16-29-25-17-28-11-12-34(22)25/h7-13,16-17,19,32H,14-15H2,1-6H3
InChIKeyONARYKBJHAJVBP-UHFFFAOYSA-N
XLogP4.61
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.61
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(4-imidazo[1,2-a]pyrazin-3-yl-2-methoxyphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine?
The IUPAC name of 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) is 6-(4-imidazo[1,2-a]pyrazin-3-yl-2-methoxyphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine.
What is the SMILES notation for 6-(4-imidazo[1,2-a]pyrazin-3-yl-2-methoxyphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine?
The canonical SMILES for 6-(4-imidazo[1,2-a]pyrazin-3-yl-2-methoxyphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine is COc1cc(-c2cnc3cnccn23)ccc1-c1ccc(N(C)C2CC(C)(C)NC(C)(C)C2)nn1.
What is the InChIKey of 6-(4-imidazo[1,2-a]pyrazin-3-yl-2-methoxyphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine?
The InChIKey is ONARYKBJHAJVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N7O/c1-26(2)14-19(15-27(3,4)32-26)33(5)24-10-9-21(30-31-24)20-8-7-18(13-23(20)35-6)22-16-29-25-17-28-11-12-34(22)25/h7-13,16-17,19,32H,14-15H2,1-6H3.
What are the key properties of 6-(4-imidazo[1,2-a]pyrazin-3-yl-2-methoxyphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine?
6-(4-imidazo[1,2-a]pyrazin-3-yl-2-methoxyphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine has a molecular weight of 471.61 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-imidazo[1,2-a]pyrazin-3-yl-2-methoxyphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine is sourced from PubChem (CID 86710728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).