2-[methyl-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-7-yl]amino]ethyl 4-methylbenzenesulfonate

C24H25N3O3S — CID 155583128

IUPAC2-[methyl-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-7-yl]amino]ethyl 4-methylbenzenesulfonate
SMILESCc1ccc(-c2cn3ccc(N(C)CCOS(=O)(=O)c4ccc(C)cc4)cc3n2)cc1
InChIInChI=1S/C24H25N3O3S/c1-18-4-8-20(9-5-18)23-17-27-13-12-21(16-24(27)25-23)26(3)14-15-30-31(28,29)22-10-6-19(2)7-11-22/h4-13,16-17H,14-15H2,1-3H3
InChIKeyGMQCVTCRWSSJFC-UHFFFAOYSA-N
MW435.55 g/mol
LogP4.46
Rot. Bonds7

About 2-[methyl-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-7-yl]amino]ethyl 4-methylbenzenesulfonate

2-[methyl-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-7-yl]amino]ethyl 4-methylbenzenesulfonate (PubChem CID 155583128) has the molecular formula C24H25N3O3S and a molecular weight of 435.55 g/mol. Its IUPAC name is 2-[methyl-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-7-yl]amino]ethyl 4-methylbenzenesulfonate.

Molecular Properties

Compound Name2-[methyl-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-7-yl]amino]ethyl 4-methylbenzenesulfonate
PubChem CID155583128
Molecular FormulaC24H25N3O3S
Molecular Weight435.55 g/mol
Exact Mass435.16
IUPAC Name2-[methyl-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-7-yl]amino]ethyl 4-methylbenzenesulfonate
SMILESCc1ccc(-c2cn3ccc(N(C)CCOS(=O)(=O)c4ccc(C)cc4)cc3n2)cc1
InChIInChI=1S/C24H25N3O3S/c1-18-4-8-20(9-5-18)23-17-27-13-12-21(16-24(27)25-23)26(3)14-15-30-31(28,29)22-10-6-19(2)7-11-22/h4-13,16-17H,14-15H2,1-3H3
InChIKeyGMQCVTCRWSSJFC-UHFFFAOYSA-N
XLogP4.46
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

2-(4-cyano-N-methylanilino)ethyl 4-methylbenzenesulfonate
CID 86222074
2-(4-bromophenyl)-N,N-dimethylimidazo[1,2-a]pyridin-7-amine
CID 165371576
2-[4-(6-bromo-1H-benzimidazol-2-yl)-N-methylanilino]ethyl 4-methylbenzenesulfonate
CID 139235315
ethene;2-(4-methylphenyl)sulfonyloxyethyl 4-methylbenzenesulfonate
CID 173100984
N,N-dimethylmethanamine;hexadecyl 4-methylbenzenesulfonate
CID 87071404
6-(dimethylamino)hexyl 4-methylbenzenesulfonate
CID 164710675
2-(4-methylphenyl)(113C)ethyl 4-methylbenzenesulfonate
CID 102306165
7-methyl-2-[4-(3-piperazin-1-ylpropoxy)phenyl]imidazo[1,2-a]pyridine
CID 10360549
2-[2-[2-[methyl-(5-quinolin-2-yl-2-pyridinyl)amino]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate
CID 58362672
2-[4-[9-[4-[2-(4-methylphenyl)sulfonyloxyethoxy]phenyl]-1,10-phenanthrolin-2-yl]phenoxy]ethyl 4-methylbenzenesulfonate
CID 100930715
2-[methyl(2-methylprop-2-enoyl)amino]ethyl 4-methylbenzenesulfonate
CID 19000259
2-[4-(4-methylphenyl)phenyl]imidazo[1,2-a]pyridine
CID 58880683

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-7-yl]amino]ethyl 4-methylbenzenesulfonate?
The IUPAC name of 2-[methyl-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-7-yl]amino]ethyl 4-methylbenzenesulfonate (CID 155583128) is 2-[methyl-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-7-yl]amino]ethyl 4-methylbenzenesulfonate.
What is the SMILES notation for 2-[methyl-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-7-yl]amino]ethyl 4-methylbenzenesulfonate?
The canonical SMILES for 2-[methyl-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-7-yl]amino]ethyl 4-methylbenzenesulfonate is Cc1ccc(-c2cn3ccc(N(C)CCOS(=O)(=O)c4ccc(C)cc4)cc3n2)cc1.
What is the InChIKey of 2-[methyl-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-7-yl]amino]ethyl 4-methylbenzenesulfonate?
The InChIKey is GMQCVTCRWSSJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3S/c1-18-4-8-20(9-5-18)23-17-27-13-12-21(16-24(27)25-23)26(3)14-15-30-31(28,29)22-10-6-19(2)7-11-22/h4-13,16-17H,14-15H2,1-3H3.
What are the key properties of 2-[methyl-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-7-yl]amino]ethyl 4-methylbenzenesulfonate?
2-[methyl-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-7-yl]amino]ethyl 4-methylbenzenesulfonate has a molecular weight of 435.55 g/mol, XLogP of 4.46, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-7-yl]amino]ethyl 4-methylbenzenesulfonate is sourced from PubChem (CID 155583128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).