2-(2-chloro-4-methoxyphenyl)-8-methyl-3-methylsulfonyl-6-pentan-3-ylimidazo[1,2-a]pyridine

C21H25ClN2O3S — CID 69062093

IUPAC2-(2-chloro-4-methoxyphenyl)-8-methyl-3-methylsulfonyl-6-pentan-3-ylimidazo[1,2-a]pyridine
SMILESCCC(CC)c1cc(C)c2nc(-c3ccc(OC)cc3Cl)c(S(C)(=O)=O)n2c1
InChIInChI=1S/C21H25ClN2O3S/c1-6-14(7-2)15-10-13(3)20-23-19(21(24(20)12-15)28(5,25)26)17-9-8-16(27-4)11-18(17)22/h8-12,14H,6-7H2,1-5H3
InChIKeyLSCBNLVFWBWPBF-UHFFFAOYSA-N
MW420.96 g/mol
LogP5.28
Rot. Bonds6

About 2-(2-chloro-4-methoxyphenyl)-8-methyl-3-methylsulfonyl-6-pentan-3-ylimidazo[1,2-a]pyridine

2-(2-chloro-4-methoxyphenyl)-8-methyl-3-methylsulfonyl-6-pentan-3-ylimidazo[1,2-a]pyridine (PubChem CID 69062093) has the molecular formula C21H25ClN2O3S and a molecular weight of 420.96 g/mol. Its IUPAC name is 2-(2-chloro-4-methoxyphenyl)-8-methyl-3-methylsulfonyl-6-pentan-3-ylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(2-chloro-4-methoxyphenyl)-8-methyl-3-methylsulfonyl-6-pentan-3-ylimidazo[1,2-a]pyridine
PubChem CID69062093
Molecular FormulaC21H25ClN2O3S
Molecular Weight420.96 g/mol
Exact Mass420.13
IUPAC Name2-(2-chloro-4-methoxyphenyl)-8-methyl-3-methylsulfonyl-6-pentan-3-ylimidazo[1,2-a]pyridine
SMILESCCC(CC)c1cc(C)c2nc(-c3ccc(OC)cc3Cl)c(S(C)(=O)=O)n2c1
InChIInChI=1S/C21H25ClN2O3S/c1-6-14(7-2)15-10-13(3)20-23-19(21(24(20)12-15)28(5,25)26)17-9-8-16(27-4)11-18(17)22/h8-12,14H,6-7H2,1-5H3
InChIKeyLSCBNLVFWBWPBF-UHFFFAOYSA-N
XLogP5.28
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.96
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(2-chloro-4-methoxyphenyl)-8-methyl-3-methylsulfonyl-6-pentan-3-ylimidazo[1,2-a]pyridine with MolForge

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Related Compounds

2-(2-chloro-4-methoxyphenyl)-3-ethyl-8-methyl-6-pentan-3-ylimidazo[1,2-a]pyridine
CID 23582662
2-(2-chloro-4-methoxyphenyl)-6-pentan-3-ylimidazo[1,2-a]pyridine-3-carboxamide
CID 69061516
2-(2-chloro-4-methoxyphenyl)-3,8-dimethyl-N,N-dipropylimidazo[1,2-a]pyridin-6-amine
CID 69060670
5-(2-chloro-4-methoxyphenyl)-6-methyl-1-pentan-3-yl-2,3-dihydroimidazo[4,5-b]pyrazine
CID 143146095
2-(2-chloro-4-methoxyphenyl)-3-methylpyridine
CID 42624977
2-(2-chloro-4-methoxyphenyl)-3-(2-hydroxyethyl)-7-methyl-5-pentan-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-one
CID 57398970
5-methoxy-15-methyl-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,12,14,16-heptaen-13-amine
CID 115910833
5-(2-chloro-4-methoxyphenyl)-2-ethylimidazo[1,2-a]pyridine
CID 142507774
ethyl 2-[8-(2-chloro-4-methoxyphenyl)-3-methylsulfanylimidazo[1,2-a]pyridin-2-yl]acetate
CID 137368926
6-(2-chloro-4-methoxyphenyl)-N,3-dimethyl-1,2,4-triazin-5-amine
CID 116823608
2-chloro-4-methoxy-1-methylbenzene
CID 6951757
5-bromo-6-(2-chloro-4-methoxyphenyl)-3-hexan-3-yloxy-N-methylpyrazin-2-amine
CID 58804456

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methoxyphenyl)-8-methyl-3-methylsulfonyl-6-pentan-3-ylimidazo[1,2-a]pyridine?
The IUPAC name of 2-(2-chloro-4-methoxyphenyl)-8-methyl-3-methylsulfonyl-6-pentan-3-ylimidazo[1,2-a]pyridine (CID 69062093) is 2-(2-chloro-4-methoxyphenyl)-8-methyl-3-methylsulfonyl-6-pentan-3-ylimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(2-chloro-4-methoxyphenyl)-8-methyl-3-methylsulfonyl-6-pentan-3-ylimidazo[1,2-a]pyridine?
The canonical SMILES for 2-(2-chloro-4-methoxyphenyl)-8-methyl-3-methylsulfonyl-6-pentan-3-ylimidazo[1,2-a]pyridine is CCC(CC)c1cc(C)c2nc(-c3ccc(OC)cc3Cl)c(S(C)(=O)=O)n2c1.
What is the InChIKey of 2-(2-chloro-4-methoxyphenyl)-8-methyl-3-methylsulfonyl-6-pentan-3-ylimidazo[1,2-a]pyridine?
The InChIKey is LSCBNLVFWBWPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O3S/c1-6-14(7-2)15-10-13(3)20-23-19(21(24(20)12-15)28(5,25)26)17-9-8-16(27-4)11-18(17)22/h8-12,14H,6-7H2,1-5H3.
What are the key properties of 2-(2-chloro-4-methoxyphenyl)-8-methyl-3-methylsulfonyl-6-pentan-3-ylimidazo[1,2-a]pyridine?
2-(2-chloro-4-methoxyphenyl)-8-methyl-3-methylsulfonyl-6-pentan-3-ylimidazo[1,2-a]pyridine has a molecular weight of 420.96 g/mol, XLogP of 5.28, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methoxyphenyl)-8-methyl-3-methylsulfonyl-6-pentan-3-ylimidazo[1,2-a]pyridine is sourced from PubChem (CID 69062093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).