5-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine

C23H28F2N6 — CID 142747413

IUPAC5-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine
SMILESCN(c1cc(-c2ccc(-c3cn[nH]c3)c(F)c2F)cnn1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C23H28F2N6/c1-22(2)9-16(10-23(3,4)30-22)31(5)19-8-14(11-28-29-19)17-6-7-18(21(25)20(17)24)15-12-26-27-13-15/h6-8,11-13,16,30H,9-10H2,1-5H3,(H,26,27)
InChIKeyPKNOBQHQJWJKKX-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.56
Rot. Bonds4

About 5-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine

5-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine (PubChem CID 142747413) has the molecular formula C23H28F2N6 and a molecular weight of 426.52 g/mol. Its IUPAC name is 5-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine.

Molecular Properties

Compound Name5-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine
PubChem CID142747413
Molecular FormulaC23H28F2N6
Molecular Weight426.52 g/mol
Exact Mass426.23
IUPAC Name5-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine
SMILESCN(c1cc(-c2ccc(-c3cn[nH]c3)c(F)c2F)cnn1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C23H28F2N6/c1-22(2)9-16(10-23(3,4)30-22)31(5)19-8-14(11-28-29-19)17-6-7-18(21(25)20(17)24)15-12-26-27-13-15/h6-8,11-13,16,30H,9-10H2,1-5H3,(H,26,27)
InChIKeyPKNOBQHQJWJKKX-UHFFFAOYSA-N
XLogP4.56
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine?
The IUPAC name of 5-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine (CID 142747413) is 5-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine.
What is the SMILES notation for 5-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine?
The canonical SMILES for 5-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine is CN(c1cc(-c2ccc(-c3cn[nH]c3)c(F)c2F)cnn1)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 5-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine?
The InChIKey is PKNOBQHQJWJKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F2N6/c1-22(2)9-16(10-23(3,4)30-22)31(5)19-8-14(11-28-29-19)17-6-7-18(21(25)20(17)24)15-12-26-27-13-15/h6-8,11-13,16,30H,9-10H2,1-5H3,(H,26,27).
What are the key properties of 5-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine?
5-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine has a molecular weight of 426.52 g/mol, XLogP of 4.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine is sourced from PubChem (CID 142747413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).