4-[[4-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-N-(2-methoxyethyl)benzenesulfonamide

C21H19N7O3S — CID 6539034

IUPAC4-[[4-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-N-(2-methoxyethyl)benzenesulfonamide
SMILESCOCCNS(=O)(=O)c1ccc(Nc2nccc(-c3cnc4ccc(C#N)cn34)n2)cc1
InChIInChI=1S/C21H19N7O3S/c1-31-11-10-25-32(29,30)17-5-3-16(4-6-17)26-21-23-9-8-18(27-21)19-13-24-20-7-2-15(12-22)14-28(19)20/h2-9,13-14,25H,10-11H2,1H3,(H,23,26,27)
InChIKeyOQUMUPWXLNHMSI-UHFFFAOYSA-N
MW449.50 g/mol
LogP2.33
Rot. Bonds8

About 4-[[4-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-N-(2-methoxyethyl)benzenesulfonamide

4-[[4-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-N-(2-methoxyethyl)benzenesulfonamide (PubChem CID 6539034) has the molecular formula C21H19N7O3S and a molecular weight of 449.50 g/mol. Its IUPAC name is 4-[[4-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-N-(2-methoxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[[4-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-N-(2-methoxyethyl)benzenesulfonamide
PubChem CID6539034
Molecular FormulaC21H19N7O3S
Molecular Weight449.50 g/mol
Exact Mass449.13
IUPAC Name4-[[4-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-N-(2-methoxyethyl)benzenesulfonamide
SMILESCOCCNS(=O)(=O)c1ccc(Nc2nccc(-c3cnc4ccc(C#N)cn34)n2)cc1
InChIInChI=1S/C21H19N7O3S/c1-31-11-10-25-32(29,30)17-5-3-16(4-6-17)26-21-23-9-8-18(27-21)19-13-24-20-7-2-15(12-22)14-28(19)20/h2-9,13-14,25H,10-11H2,1H3,(H,23,26,27)
InChIKeyOQUMUPWXLNHMSI-UHFFFAOYSA-N
XLogP2.33
TPSA134.30 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.50
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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
BB-823
CID 9954410
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
Imidazo[1,2-b]pyridazine deriv. 2c
CID 6539039
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. 3e
CID 6539028
Imidazo[1,2-a]pyridine deriv. 4b
CID 6539031

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-N-(2-methoxyethyl)benzenesulfonamide?
The IUPAC name of 4-[[4-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-N-(2-methoxyethyl)benzenesulfonamide (CID 6539034) is 4-[[4-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-N-(2-methoxyethyl)benzenesulfonamide.
What is the SMILES notation for 4-[[4-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-N-(2-methoxyethyl)benzenesulfonamide?
The canonical SMILES for 4-[[4-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-N-(2-methoxyethyl)benzenesulfonamide is COCCNS(=O)(=O)c1ccc(Nc2nccc(-c3cnc4ccc(C#N)cn34)n2)cc1.
What is the InChIKey of 4-[[4-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-N-(2-methoxyethyl)benzenesulfonamide?
The InChIKey is OQUMUPWXLNHMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7O3S/c1-31-11-10-25-32(29,30)17-5-3-16(4-6-17)26-21-23-9-8-18(27-21)19-13-24-20-7-2-15(12-22)14-28(19)20/h2-9,13-14,25H,10-11H2,1H3,(H,23,26,27).
What are the key properties of 4-[[4-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-N-(2-methoxyethyl)benzenesulfonamide?
4-[[4-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-N-(2-methoxyethyl)benzenesulfonamide has a molecular weight of 449.50 g/mol, XLogP of 2.33, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-N-(2-methoxyethyl)benzenesulfonamide is sourced from PubChem (CID 6539034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).