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

C20H21N7O3S — CID 6539041

IUPAC4-[(4-imidazo[1,2-b]pyridazin-3-ylpyrimidin-2-yl)amino]-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
SMILESCOCCN(C)S(=O)(=O)c1ccc(Nc2nccc(-c3cnc4cccnn34)n2)cc1
InChIInChI=1S/C20H21N7O3S/c1-26(12-13-30-2)31(28,29)16-7-5-15(6-8-16)24-20-21-11-9-17(25-20)18-14-22-19-4-3-10-23-27(18)19/h3-11,14H,12-13H2,1-2H3,(H,21,24,25)
InChIKeyWFVACMULHDBZCD-UHFFFAOYSA-N
MW439.50 g/mol
LogP2.20
Rot. Bonds8

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

4-[(4-imidazo[1,2-b]pyridazin-3-ylpyrimidin-2-yl)amino]-N-(2-methoxyethyl)-N-methylbenzenesulfonamide (PubChem CID 6539041) has the molecular formula C20H21N7O3S and a molecular weight of 439.50 g/mol. Its IUPAC name is 4-[(4-imidazo[1,2-b]pyridazin-3-ylpyrimidin-2-yl)amino]-N-(2-methoxyethyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(4-imidazo[1,2-b]pyridazin-3-ylpyrimidin-2-yl)amino]-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
PubChem CID6539041
Molecular FormulaC20H21N7O3S
Molecular Weight439.50 g/mol
Exact Mass439.14
IUPAC Name4-[(4-imidazo[1,2-b]pyridazin-3-ylpyrimidin-2-yl)amino]-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
SMILESCOCCN(C)S(=O)(=O)c1ccc(Nc2nccc(-c3cnc4cccnn34)n2)cc1
InChIInChI=1S/C20H21N7O3S/c1-26(12-13-30-2)31(28,29)16-7-5-15(6-8-16)24-20-21-11-9-17(25-20)18-14-22-19-4-3-10-23-27(18)19/h3-11,14H,12-13H2,1-2H3,(H,21,24,25)
InChIKeyWFVACMULHDBZCD-UHFFFAOYSA-N
XLogP2.20
TPSA114.61 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.50
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

DB-02197
CID 5288527
N-(2-Methoxyethyl)-4-((4-(2-methyl-1-(1-methylethyl)-1H-imidazol-5-YL)pyrimidin-2-YL)amino)benzenesulfonamide
CID 24963033
2-[4-(N-(3-Dimethylaminopropyl)sulphamoyl)anilino]-
CID 5288595
4-[(4-{2-Methylimidazo[1,2-a]pyridin-3-yl}pyrimidin-2-yl)amino]benzene-1-sulfonamide
CID 6539011
Sulfonamide deriv. 3a
CID 6539024
Sulfonamide deriv. 3b
CID 6539025
Sulfonamide deriv. 3c
CID 6539026
N-(2-(dimethylamino)ethyl)-4-((4-(imidazo(1,2-a)pyridin-3-yl)pyrimidin-2-yl)amino)benzene-1-sulfonamide
CID 6539027
Sulfonamide deriv. 3e
CID 6539028
Imidazo[1,2-a]pyridine deriv. 4b
CID 6539031
Imidazo[1,2-b]pyridazine deriv. 2b
CID 6539038
Imidazo[1,2-b]pyridazine deriv. 2c
CID 6539039

Frequently Asked Questions

What is the IUPAC name of 4-[(4-imidazo[1,2-b]pyridazin-3-ylpyrimidin-2-yl)amino]-N-(2-methoxyethyl)-N-methylbenzenesulfonamide?
The IUPAC name of 4-[(4-imidazo[1,2-b]pyridazin-3-ylpyrimidin-2-yl)amino]-N-(2-methoxyethyl)-N-methylbenzenesulfonamide (CID 6539041) is 4-[(4-imidazo[1,2-b]pyridazin-3-ylpyrimidin-2-yl)amino]-N-(2-methoxyethyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-[(4-imidazo[1,2-b]pyridazin-3-ylpyrimidin-2-yl)amino]-N-(2-methoxyethyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 4-[(4-imidazo[1,2-b]pyridazin-3-ylpyrimidin-2-yl)amino]-N-(2-methoxyethyl)-N-methylbenzenesulfonamide is COCCN(C)S(=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-(2-methoxyethyl)-N-methylbenzenesulfonamide?
The InChIKey is WFVACMULHDBZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O3S/c1-26(12-13-30-2)31(28,29)16-7-5-15(6-8-16)24-20-21-11-9-17(25-20)18-14-22-19-4-3-10-23-27(18)19/h3-11,14H,12-13H2,1-2H3,(H,21,24,25).
What are the key properties of 4-[(4-imidazo[1,2-b]pyridazin-3-ylpyrimidin-2-yl)amino]-N-(2-methoxyethyl)-N-methylbenzenesulfonamide?
4-[(4-imidazo[1,2-b]pyridazin-3-ylpyrimidin-2-yl)amino]-N-(2-methoxyethyl)-N-methylbenzenesulfonamide has a molecular weight of 439.50 g/mol, XLogP of 2.20, 8 rotatable bonds, 1 hydrogen bond donors, and 9 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-(2-methoxyethyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 6539041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).