N-(3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl)-6-[3-methoxy-5-[1-(oxan-2-yl)pyrazol-4-yl]-2-pyridinyl]pyridazin-3-amine

C27H36FN7O2 — CID 155287368

IUPACN-(3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl)-6-[3-methoxy-5-[1-(oxan-2-yl)pyrazol-4-yl]-2-pyridinyl]pyridazin-3-amine
SMILESCOc1cc(-c2cnn(C3CCCCO3)c2)cnc1-c1ccc(NC2CC(C)(C)NC(C)(C)C2F)nn1
InChIInChI=1S/C27H36FN7O2/c1-26(2)13-20(25(28)27(3,4)34-26)31-22-10-9-19(32-33-22)24-21(36-5)12-17(14-29-24)18-15-30-35(16-18)23-8-6-7-11-37-23/h9-10,12,14-16,20,23,25,34H,6-8,11,13H2,1-5H3,(H,31,33)
InChIKeyCPJJOILJQFEUFQ-UHFFFAOYSA-N
MW509.63 g/mol
LogP4.78
Rot. Bonds6

About N-(3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl)-6-[3-methoxy-5-[1-(oxan-2-yl)pyrazol-4-yl]-2-pyridinyl]pyridazin-3-amine

N-(3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl)-6-[3-methoxy-5-[1-(oxan-2-yl)pyrazol-4-yl]-2-pyridinyl]pyridazin-3-amine (PubChem CID 155287368) has the molecular formula C27H36FN7O2 and a molecular weight of 509.63 g/mol. Its IUPAC name is N-(3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl)-6-[3-methoxy-5-[1-(oxan-2-yl)pyrazol-4-yl]-2-pyridinyl]pyridazin-3-amine.

Molecular Properties

Compound NameN-(3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl)-6-[3-methoxy-5-[1-(oxan-2-yl)pyrazol-4-yl]-2-pyridinyl]pyridazin-3-amine
PubChem CID155287368
Molecular FormulaC27H36FN7O2
Molecular Weight509.63 g/mol
Exact Mass509.29
IUPAC NameN-(3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl)-6-[3-methoxy-5-[1-(oxan-2-yl)pyrazol-4-yl]-2-pyridinyl]pyridazin-3-amine
SMILESCOc1cc(-c2cnn(C3CCCCO3)c2)cnc1-c1ccc(NC2CC(C)(C)NC(C)(C)C2F)nn1
InChIInChI=1S/C27H36FN7O2/c1-26(2)13-20(25(28)27(3,4)34-26)31-22-10-9-19(32-33-22)24-21(36-5)12-17(14-29-24)18-15-30-35(16-18)23-8-6-7-11-37-23/h9-10,12,14-16,20,23,25,34H,6-8,11,13H2,1-5H3,(H,31,33)
InChIKeyCPJJOILJQFEUFQ-UHFFFAOYSA-N
XLogP4.78
TPSA99.01 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.63
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-(3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl)-6-[3-methoxy-5-[1-(oxan-2-yl)pyrazol-4-yl]-2-pyridinyl]pyridazin-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl)-6-[3-methoxy-5-[1-(oxan-2-yl)pyrazol-4-yl]-2-pyridinyl]pyridazin-3-amine?
The IUPAC name of N-(3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl)-6-[3-methoxy-5-[1-(oxan-2-yl)pyrazol-4-yl]-2-pyridinyl]pyridazin-3-amine (CID 155287368) is N-(3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl)-6-[3-methoxy-5-[1-(oxan-2-yl)pyrazol-4-yl]-2-pyridinyl]pyridazin-3-amine.
What is the SMILES notation for N-(3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl)-6-[3-methoxy-5-[1-(oxan-2-yl)pyrazol-4-yl]-2-pyridinyl]pyridazin-3-amine?
The canonical SMILES for N-(3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl)-6-[3-methoxy-5-[1-(oxan-2-yl)pyrazol-4-yl]-2-pyridinyl]pyridazin-3-amine is COc1cc(-c2cnn(C3CCCCO3)c2)cnc1-c1ccc(NC2CC(C)(C)NC(C)(C)C2F)nn1.
What is the InChIKey of N-(3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl)-6-[3-methoxy-5-[1-(oxan-2-yl)pyrazol-4-yl]-2-pyridinyl]pyridazin-3-amine?
The InChIKey is CPJJOILJQFEUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36FN7O2/c1-26(2)13-20(25(28)27(3,4)34-26)31-22-10-9-19(32-33-22)24-21(36-5)12-17(14-29-24)18-15-30-35(16-18)23-8-6-7-11-37-23/h9-10,12,14-16,20,23,25,34H,6-8,11,13H2,1-5H3,(H,31,33).
What are the key properties of N-(3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl)-6-[3-methoxy-5-[1-(oxan-2-yl)pyrazol-4-yl]-2-pyridinyl]pyridazin-3-amine?
N-(3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl)-6-[3-methoxy-5-[1-(oxan-2-yl)pyrazol-4-yl]-2-pyridinyl]pyridazin-3-amine has a molecular weight of 509.63 g/mol, XLogP of 4.78, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl)-6-[3-methoxy-5-[1-(oxan-2-yl)pyrazol-4-yl]-2-pyridinyl]pyridazin-3-amine is sourced from PubChem (CID 155287368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).