6-(2-fluoro-6-methoxyphenyl)-N-methyl-4-(1-methylpyrazol-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine

C25H33FN6O — CID 86710717

IUPAC6-(2-fluoro-6-methoxyphenyl)-N-methyl-4-(1-methylpyrazol-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine
SMILESCOc1cccc(F)c1-c1cc(-c2cnn(C)c2)c(N(C)C2CC(C)(C)NC(C)(C)C2)nn1
InChIInChI=1S/C25H33FN6O/c1-24(2)12-17(13-25(3,4)30-24)32(6)23-18(16-14-27-31(5)15-16)11-20(28-29-23)22-19(26)9-8-10-21(22)33-7/h8-11,14-15,17,30H,12-13H2,1-7H3
InChIKeyQPADEPSIPQIUTO-UHFFFAOYSA-N
MW452.58 g/mol
LogP4.44
Rot. Bonds5

About 6-(2-fluoro-6-methoxyphenyl)-N-methyl-4-(1-methylpyrazol-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine

6-(2-fluoro-6-methoxyphenyl)-N-methyl-4-(1-methylpyrazol-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine (PubChem CID 86710717) has the molecular formula C25H33FN6O and a molecular weight of 452.58 g/mol. Its IUPAC name is 6-(2-fluoro-6-methoxyphenyl)-N-methyl-4-(1-methylpyrazol-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine.

Molecular Properties

Compound Name6-(2-fluoro-6-methoxyphenyl)-N-methyl-4-(1-methylpyrazol-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine
PubChem CID86710717
Molecular FormulaC25H33FN6O
Molecular Weight452.58 g/mol
Exact Mass452.27
IUPAC Name6-(2-fluoro-6-methoxyphenyl)-N-methyl-4-(1-methylpyrazol-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine
SMILESCOc1cccc(F)c1-c1cc(-c2cnn(C)c2)c(N(C)C2CC(C)(C)NC(C)(C)C2)nn1
InChIInChI=1S/C25H33FN6O/c1-24(2)12-17(13-25(3,4)30-24)32(6)23-18(16-14-27-31(5)15-16)11-20(28-29-23)22-19(26)9-8-10-21(22)33-7/h8-11,14-15,17,30H,12-13H2,1-7H3
InChIKeyQPADEPSIPQIUTO-UHFFFAOYSA-N
XLogP4.44
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoro-6-methoxyphenyl)-N-methyl-4-(1-methylpyrazol-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine?
The IUPAC name of 6-(2-fluoro-6-methoxyphenyl)-N-methyl-4-(1-methylpyrazol-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine (CID 86710717) is 6-(2-fluoro-6-methoxyphenyl)-N-methyl-4-(1-methylpyrazol-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine.
What is the SMILES notation for 6-(2-fluoro-6-methoxyphenyl)-N-methyl-4-(1-methylpyrazol-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine?
The canonical SMILES for 6-(2-fluoro-6-methoxyphenyl)-N-methyl-4-(1-methylpyrazol-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine is COc1cccc(F)c1-c1cc(-c2cnn(C)c2)c(N(C)C2CC(C)(C)NC(C)(C)C2)nn1.
What is the InChIKey of 6-(2-fluoro-6-methoxyphenyl)-N-methyl-4-(1-methylpyrazol-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine?
The InChIKey is QPADEPSIPQIUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33FN6O/c1-24(2)12-17(13-25(3,4)30-24)32(6)23-18(16-14-27-31(5)15-16)11-20(28-29-23)22-19(26)9-8-10-21(22)33-7/h8-11,14-15,17,30H,12-13H2,1-7H3.
What are the key properties of 6-(2-fluoro-6-methoxyphenyl)-N-methyl-4-(1-methylpyrazol-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine?
6-(2-fluoro-6-methoxyphenyl)-N-methyl-4-(1-methylpyrazol-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine has a molecular weight of 452.58 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoro-6-methoxyphenyl)-N-methyl-4-(1-methylpyrazol-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine is sourced from PubChem (CID 86710717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).