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

C22H24N6O3S2 — CID 6539035

IUPAC4-[[4-(6-ethylsulfanylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-N-(2-methoxyethyl)benzenesulfonamide
SMILESCCSc1ccc2ncc(-c3ccnc(Nc4ccc(S(=O)(=O)NCCOC)cc4)n3)n2c1
InChIInChI=1S/C22H24N6O3S2/c1-3-32-17-6-9-21-24-14-20(28(21)15-17)19-10-11-23-22(27-19)26-16-4-7-18(8-5-16)33(29,30)25-12-13-31-2/h4-11,14-15,25H,3,12-13H2,1-2H3,(H,23,26,27)
InChIKeyRUMYYOSNSRQLJJ-UHFFFAOYSA-N
MW484.61 g/mol
LogP3.57
Rot. Bonds10

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

4-[[4-(6-ethylsulfanylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-N-(2-methoxyethyl)benzenesulfonamide (PubChem CID 6539035) has the molecular formula C22H24N6O3S2 and a molecular weight of 484.61 g/mol. Its IUPAC name is 4-[[4-(6-ethylsulfanylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-N-(2-methoxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[[4-(6-ethylsulfanylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-N-(2-methoxyethyl)benzenesulfonamide
PubChem CID6539035
Molecular FormulaC22H24N6O3S2
Molecular Weight484.61 g/mol
Exact Mass484.14
IUPAC Name4-[[4-(6-ethylsulfanylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-N-(2-methoxyethyl)benzenesulfonamide
SMILESCCSc1ccc2ncc(-c3ccnc(Nc4ccc(S(=O)(=O)NCCOC)cc4)n3)n2c1
InChIInChI=1S/C22H24N6O3S2/c1-3-32-17-6-9-21-24-14-20(28(21)15-17)19-10-11-23-22(27-19)26-16-4-7-18(8-5-16)33(29,30)25-12-13-31-2/h4-11,14-15,25H,3,12-13H2,1-2H3,(H,23,26,27)
InChIKeyRUMYYOSNSRQLJJ-UHFFFAOYSA-N
XLogP3.57
TPSA110.51 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.61
LogP ≤ 53.57
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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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(6-ethylsulfanylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-N-(2-methoxyethyl)benzenesulfonamide?
The IUPAC name of 4-[[4-(6-ethylsulfanylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-N-(2-methoxyethyl)benzenesulfonamide (CID 6539035) is 4-[[4-(6-ethylsulfanylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-N-(2-methoxyethyl)benzenesulfonamide.
What is the SMILES notation for 4-[[4-(6-ethylsulfanylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-N-(2-methoxyethyl)benzenesulfonamide?
The canonical SMILES for 4-[[4-(6-ethylsulfanylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-N-(2-methoxyethyl)benzenesulfonamide is CCSc1ccc2ncc(-c3ccnc(Nc4ccc(S(=O)(=O)NCCOC)cc4)n3)n2c1.
What is the InChIKey of 4-[[4-(6-ethylsulfanylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-N-(2-methoxyethyl)benzenesulfonamide?
The InChIKey is RUMYYOSNSRQLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O3S2/c1-3-32-17-6-9-21-24-14-20(28(21)15-17)19-10-11-23-22(27-19)26-16-4-7-18(8-5-16)33(29,30)25-12-13-31-2/h4-11,14-15,25H,3,12-13H2,1-2H3,(H,23,26,27).
What are the key properties of 4-[[4-(6-ethylsulfanylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-N-(2-methoxyethyl)benzenesulfonamide?
4-[[4-(6-ethylsulfanylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-N-(2-methoxyethyl)benzenesulfonamide has a molecular weight of 484.61 g/mol, XLogP of 3.57, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(6-ethylsulfanylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-N-(2-methoxyethyl)benzenesulfonamide is sourced from PubChem (CID 6539035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).