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

C25H33FN6O — CID 86710720

IUPAC6-[2-fluoro-6-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine
SMILESCOc1cc(-c2cnn(C)c2)cc(F)c1-c1ccc(N(C)C2CC(C)(C)NC(C)(C)C2)nn1
InChIInChI=1S/C25H33FN6O/c1-24(2)12-18(13-25(3,4)30-24)32(6)22-9-8-20(28-29-22)23-19(26)10-16(11-21(23)33-7)17-14-27-31(5)15-17/h8-11,14-15,18,30H,12-13H2,1-7H3
InChIKeyBXGCKOBKNKIBDC-UHFFFAOYSA-N
MW452.58 g/mol
LogP4.44
Rot. Bonds5

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

6-[2-fluoro-6-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine (PubChem CID 86710720) has the molecular formula C25H33FN6O and a molecular weight of 452.58 g/mol. Its IUPAC name is 6-[2-fluoro-6-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine.

Molecular Properties

Compound Name6-[2-fluoro-6-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine
PubChem CID86710720
Molecular FormulaC25H33FN6O
Molecular Weight452.58 g/mol
Exact Mass452.27
IUPAC Name6-[2-fluoro-6-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine
SMILESCOc1cc(-c2cnn(C)c2)cc(F)c1-c1ccc(N(C)C2CC(C)(C)NC(C)(C)C2)nn1
InChIInChI=1S/C25H33FN6O/c1-24(2)12-18(13-25(3,4)30-24)32(6)22-9-8-20(28-29-22)23-19(26)10-16(11-21(23)33-7)17-14-27-31(5)15-17/h8-11,14-15,18,30H,12-13H2,1-7H3
InChIKeyBXGCKOBKNKIBDC-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-methoxy-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-fluoro-6-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine (CID 86710720) is 6-[2-fluoro-6-methoxy-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-fluoro-6-methoxy-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-fluoro-6-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine is COc1cc(-c2cnn(C)c2)cc(F)c1-c1ccc(N(C)C2CC(C)(C)NC(C)(C)C2)nn1.
What is the InChIKey of 6-[2-fluoro-6-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine?
The InChIKey is BXGCKOBKNKIBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33FN6O/c1-24(2)12-18(13-25(3,4)30-24)32(6)22-9-8-20(28-29-22)23-19(26)10-16(11-21(23)33-7)17-14-27-31(5)15-17/h8-11,14-15,18,30H,12-13H2,1-7H3.
What are the key properties of 6-[2-fluoro-6-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine?
6-[2-fluoro-6-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-N-methyl-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-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine is sourced from PubChem (CID 86710720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).