4-[(4-imidazo[1,2-b]pyridazin-3-ylpyrimidin-2-yl)amino]-N-methylbenzenesulfonamide

C17H15N7O2S — CID 6539038

IUPAC4-[(4-imidazo[1,2-b]pyridazin-3-ylpyrimidin-2-yl)amino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(Nc2nccc(-c3cnc4cccnn34)n2)cc1
InChIInChI=1S/C17H15N7O2S/c1-18-27(25,26)13-6-4-12(5-7-13)22-17-19-10-8-14(23-17)15-11-20-16-3-2-9-21-24(15)16/h2-11,18H,1H3,(H,19,22,23)
InChIKeyFOJLLPFLWQTXFD-UHFFFAOYSA-N
MW381.42 g/mol
LogP1.84
Rot. Bonds5

About 4-[(4-imidazo[1,2-b]pyridazin-3-ylpyrimidin-2-yl)amino]-N-methylbenzenesulfonamide

4-[(4-imidazo[1,2-b]pyridazin-3-ylpyrimidin-2-yl)amino]-N-methylbenzenesulfonamide (PubChem CID 6539038) has the molecular formula C17H15N7O2S and a molecular weight of 381.42 g/mol. Its IUPAC name is 4-[(4-imidazo[1,2-b]pyridazin-3-ylpyrimidin-2-yl)amino]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(4-imidazo[1,2-b]pyridazin-3-ylpyrimidin-2-yl)amino]-N-methylbenzenesulfonamide
PubChem CID6539038
Molecular FormulaC17H15N7O2S
Molecular Weight381.42 g/mol
Exact Mass381.10
IUPAC Name4-[(4-imidazo[1,2-b]pyridazin-3-ylpyrimidin-2-yl)amino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(Nc2nccc(-c3cnc4cccnn34)n2)cc1
InChIInChI=1S/C17H15N7O2S/c1-18-27(25,26)13-6-4-12(5-7-13)22-17-19-10-8-14(23-17)15-11-20-16-3-2-9-21-24(15)16/h2-11,18H,1H3,(H,19,22,23)
InChIKeyFOJLLPFLWQTXFD-UHFFFAOYSA-N
XLogP1.84
TPSA114.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.42
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-imidazo[1,2-b]pyridazin-3-ylpyrimidin-2-yl)amino]-N-methylbenzenesulfonamide?
The IUPAC name of 4-[(4-imidazo[1,2-b]pyridazin-3-ylpyrimidin-2-yl)amino]-N-methylbenzenesulfonamide (CID 6539038) is 4-[(4-imidazo[1,2-b]pyridazin-3-ylpyrimidin-2-yl)amino]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-[(4-imidazo[1,2-b]pyridazin-3-ylpyrimidin-2-yl)amino]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-[(4-imidazo[1,2-b]pyridazin-3-ylpyrimidin-2-yl)amino]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(Nc2nccc(-c3cnc4cccnn34)n2)cc1.
What is the InChIKey of 4-[(4-imidazo[1,2-b]pyridazin-3-ylpyrimidin-2-yl)amino]-N-methylbenzenesulfonamide?
The InChIKey is FOJLLPFLWQTXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7O2S/c1-18-27(25,26)13-6-4-12(5-7-13)22-17-19-10-8-14(23-17)15-11-20-16-3-2-9-21-24(15)16/h2-11,18H,1H3,(H,19,22,23).
What are the key properties of 4-[(4-imidazo[1,2-b]pyridazin-3-ylpyrimidin-2-yl)amino]-N-methylbenzenesulfonamide?
4-[(4-imidazo[1,2-b]pyridazin-3-ylpyrimidin-2-yl)amino]-N-methylbenzenesulfonamide has a molecular weight of 381.42 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-imidazo[1,2-b]pyridazin-3-ylpyrimidin-2-yl)amino]-N-methylbenzenesulfonamide is sourced from PubChem (CID 6539038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).