4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-N-(3-methoxypropyl)benzenesulfonamide

C21H22N6O3S — CID 6539026

IUPAC4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-N-(3-methoxypropyl)benzenesulfonamide
SMILESCOCCCNS(=O)(=O)c1ccc(Nc2nccc(-c3cnc4ccccn34)n2)cc1
InChIInChI=1S/C21H22N6O3S/c1-30-14-4-11-24-31(28,29)17-8-6-16(7-9-17)25-21-22-12-10-18(26-21)19-15-23-20-5-2-3-13-27(19)20/h2-3,5-10,12-13,15,24H,4,11,14H2,1H3,(H,22,25,26)
InChIKeyJDXDUTOQTGQWJD-UHFFFAOYSA-N
MW438.51 g/mol
LogP2.85
Rot. Bonds9

About 4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-N-(3-methoxypropyl)benzenesulfonamide

4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-N-(3-methoxypropyl)benzenesulfonamide (PubChem CID 6539026) has the molecular formula C21H22N6O3S and a molecular weight of 438.51 g/mol. Its IUPAC name is 4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-N-(3-methoxypropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-N-(3-methoxypropyl)benzenesulfonamide
PubChem CID6539026
Molecular FormulaC21H22N6O3S
Molecular Weight438.51 g/mol
Exact Mass438.15
IUPAC Name4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-N-(3-methoxypropyl)benzenesulfonamide
SMILESCOCCCNS(=O)(=O)c1ccc(Nc2nccc(-c3cnc4ccccn34)n2)cc1
InChIInChI=1S/C21H22N6O3S/c1-30-14-4-11-24-31(28,29)17-8-6-16(7-9-17)25-21-22-12-10-18(26-21)19-15-23-20-5-2-3-13-27(19)20/h2-3,5-10,12-13,15,24H,4,11,14H2,1H3,(H,22,25,26)
InChIKeyJDXDUTOQTGQWJD-UHFFFAOYSA-N
XLogP2.85
TPSA110.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.51
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-imidazo[1,2-a]pyrimidin-3-ylpyrimidin-2-yl)amino]-N-(2-methoxyethyl)benzenesulfonamide
CID 170987320
benzyl N-[3-[[4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]phenyl]sulfonylamino]propyl]carbamate
CID 150543572
4-imidazo[1,2-a]pyridin-3-yl-N-(4-methoxyphenyl)pyrimidin-2-amine
CID 57490526
N-(2-methoxyethyl)-4-[[4-[2-(methoxymethyl)-3-methylimidazol-4-yl]pyrimidin-2-yl]amino]benzenesulfonamide
CID 69314380
1-N-(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)-4-N,4-N-dimethylbenzene-1,4-diamine
CID 57490534
N-(2-ethoxyethyl)-4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 24887950
4-[[4-[3-(cyclopropylmethyl)-2-(2-methylprop-1-enyl)imidazol-4-yl]pyrimidin-2-yl]amino]-N-(2-methoxyethyl)benzenesulfonamide
CID 68881901
N-(2-methoxyethyl)-4-[[4-[2-(2-methyl-1-oxopropan-2-yl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]benzenesulfonamide
CID 87890834
N-[3-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]phenyl]formamide
CID 122425064
[3-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]phenyl]methanol
CID 122429884
4-imidazo[1,2-a]pyridin-3-yl-N-(5-methyl-2-pyridinyl)pyrimidin-2-amine
CID 155573015
3-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]benzoic acid
CID 59176893

Frequently Asked Questions

What is the IUPAC name of 4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-N-(3-methoxypropyl)benzenesulfonamide?
The IUPAC name of 4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-N-(3-methoxypropyl)benzenesulfonamide (CID 6539026) is 4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-N-(3-methoxypropyl)benzenesulfonamide.
What is the SMILES notation for 4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-N-(3-methoxypropyl)benzenesulfonamide?
The canonical SMILES for 4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-N-(3-methoxypropyl)benzenesulfonamide is COCCCNS(=O)(=O)c1ccc(Nc2nccc(-c3cnc4ccccn34)n2)cc1.
What is the InChIKey of 4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-N-(3-methoxypropyl)benzenesulfonamide?
The InChIKey is JDXDUTOQTGQWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O3S/c1-30-14-4-11-24-31(28,29)17-8-6-16(7-9-17)25-21-22-12-10-18(26-21)19-15-23-20-5-2-3-13-27(19)20/h2-3,5-10,12-13,15,24H,4,11,14H2,1H3,(H,22,25,26).
What are the key properties of 4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-N-(3-methoxypropyl)benzenesulfonamide?
4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-N-(3-methoxypropyl)benzenesulfonamide has a molecular weight of 438.51 g/mol, XLogP of 2.85, 9 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-a]pyridin-3-ylpyrimidin-2-yl)amino]-N-(3-methoxypropyl)benzenesulfonamide is sourced from PubChem (CID 6539026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).