N-[3-(3,4-dimethoxyphenyl)-6-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-8-yl]acetamide

C24H23N3O5S — CID 49792088

IUPACN-[3-(3,4-dimethoxyphenyl)-6-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-8-yl]acetamide
SMILESCC(=O)NC1=CC(=CN2C1=NC=C2C3=CC(=C(C=C3)OC)OC)C4=CC=C(C=C4)S(=O)(=O)C
InChIInChI=1S/C24H23N3O5S/c1-15(28)26-20-11-18(16-5-8-19(9-6-16)33(4,29)30)14-27-21(13-25-24(20)27)17-7-10-22(31-2)23(12-17)32-3/h5-14H,1-4H3,(H,26,28)
InChIKeyNFRLWJHBZDHHPR-UHFFFAOYSA-N
MW465.50 g/mol
LogP3.40
Rot. Bonds6

About N-[3-(3,4-dimethoxyphenyl)-6-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-8-yl]acetamide

N-[3-(3,4-dimethoxyphenyl)-6-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-8-yl]acetamide (PubChem CID 49792088) has the molecular formula C24H23N3O5S and a molecular weight of 465.50 g/mol. Its IUPAC name is N-[3-(3,4-dimethoxyphenyl)-6-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-8-yl]acetamide.

Molecular Properties

Compound NameN-[3-(3,4-dimethoxyphenyl)-6-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-8-yl]acetamide
PubChem CID49792088
Molecular FormulaC24H23N3O5S
Molecular Weight465.50 g/mol
Exact Mass465.14
IUPAC NameN-[3-(3,4-dimethoxyphenyl)-6-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-8-yl]acetamide
SMILESCC(=O)NC1=CC(=CN2C1=NC=C2C3=CC(=C(C=C3)OC)OC)C4=CC=C(C=C4)S(=O)(=O)C
InChIInChI=1S/C24H23N3O5S/c1-15(28)26-20-11-18(16-5-8-19(9-6-16)33(4,29)30)14-27-21(13-25-24(20)27)17-7-10-22(31-2)23(12-17)32-3/h5-14H,1-4H3,(H,26,28)
InChIKeyNFRLWJHBZDHHPR-UHFFFAOYSA-N
XLogP3.40
TPSA107.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity779

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.50
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dimethoxyphenyl)-6-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-8-yl]acetamide?
The IUPAC name of N-[3-(3,4-dimethoxyphenyl)-6-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-8-yl]acetamide (CID 49792088) is N-[3-(3,4-dimethoxyphenyl)-6-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-8-yl]acetamide.
What is the SMILES notation for N-[3-(3,4-dimethoxyphenyl)-6-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-8-yl]acetamide?
The canonical SMILES for N-[3-(3,4-dimethoxyphenyl)-6-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-8-yl]acetamide is CC(=O)NC1=CC(=CN2C1=NC=C2C3=CC(=C(C=C3)OC)OC)C4=CC=C(C=C4)S(=O)(=O)C.
What is the InChIKey of N-[3-(3,4-dimethoxyphenyl)-6-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-8-yl]acetamide?
The InChIKey is NFRLWJHBZDHHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O5S/c1-15(28)26-20-11-18(16-5-8-19(9-6-16)33(4,29)30)14-27-21(13-25-24(20)27)17-7-10-22(31-2)23(12-17)32-3/h5-14H,1-4H3,(H,26,28).
What are the key properties of N-[3-(3,4-dimethoxyphenyl)-6-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-8-yl]acetamide?
N-[3-(3,4-dimethoxyphenyl)-6-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-8-yl]acetamide has a molecular weight of 465.50 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dimethoxyphenyl)-6-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-8-yl]acetamide is sourced from PubChem (CID 49792088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).