2-[4-(imidazo[1,2-a]pyridine-8-carbonyl)piperazin-1-yl]-1-(4-methylsulfinylphenyl)ethanone

C21H22N4O3S — CID 143764313

IUPAC2-[4-(imidazo[1,2-a]pyridine-8-carbonyl)piperazin-1-yl]-1-(4-methylsulfinylphenyl)ethanone
SMILESCS(=O)c1ccc(C(=O)CN2CCN(C(=O)c3cccn4ccnc34)CC2)cc1
InChIInChI=1S/C21H22N4O3S/c1-29(28)17-6-4-16(5-7-17)19(26)15-23-11-13-25(14-12-23)21(27)18-3-2-9-24-10-8-22-20(18)24/h2-10H,11-15H2,1H3
InChIKeyUADVWOIJKHGGBU-UHFFFAOYSA-N
MW410.50 g/mol
LogP1.71
Rot. Bonds5

About 2-[4-(imidazo[1,2-a]pyridine-8-carbonyl)piperazin-1-yl]-1-(4-methylsulfinylphenyl)ethanone

2-[4-(imidazo[1,2-a]pyridine-8-carbonyl)piperazin-1-yl]-1-(4-methylsulfinylphenyl)ethanone (PubChem CID 143764313) has the molecular formula C21H22N4O3S and a molecular weight of 410.50 g/mol. Its IUPAC name is 2-[4-(imidazo[1,2-a]pyridine-8-carbonyl)piperazin-1-yl]-1-(4-methylsulfinylphenyl)ethanone.

Molecular Properties

Compound Name2-[4-(imidazo[1,2-a]pyridine-8-carbonyl)piperazin-1-yl]-1-(4-methylsulfinylphenyl)ethanone
PubChem CID143764313
Molecular FormulaC21H22N4O3S
Molecular Weight410.50 g/mol
Exact Mass410.14
IUPAC Name2-[4-(imidazo[1,2-a]pyridine-8-carbonyl)piperazin-1-yl]-1-(4-methylsulfinylphenyl)ethanone
SMILESCS(=O)c1ccc(C(=O)CN2CCN(C(=O)c3cccn4ccnc34)CC2)cc1
InChIInChI=1S/C21H22N4O3S/c1-29(28)17-6-4-16(5-7-17)19(26)15-23-11-13-25(14-12-23)21(27)18-3-2-9-24-10-8-22-20(18)24/h2-10H,11-15H2,1H3
InChIKeyUADVWOIJKHGGBU-UHFFFAOYSA-N
XLogP1.71
TPSA74.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

imidazo[1,2-a]pyridin-8-yl(piperidin-1-yl)methanone
CID 110704345
(4-ethoxypiperidin-1-yl)-imidazo[1,2-a]pyridin-8-ylmethanone
CID 71880449
imidazo[1,2-a]pyridine-8-carboxylic acid
CID 11715357
2-(4-benzoylpiperazin-1-yl)-1-phenylethanone
CID 3599210
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone
CID 110358942
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-phenylethanone
CID 110366210
[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-(4-methylsulfinylphenyl)methanone
CID 51278901
2-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-phenylethanone
CID 110366218
1-(2,4-dimethylphenyl)-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethanone
CID 110366678
N-propylimidazo[1,2-a]pyridine-8-carboxamide
CID 110704336
1-(4-chlorophenyl)-2-[4-(2,3,4-trifluorobenzoyl)piperazin-1-yl]ethanone
CID 110358816
1-(4-bromophenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 71333619

Frequently Asked Questions

What is the IUPAC name of 2-[4-(imidazo[1,2-a]pyridine-8-carbonyl)piperazin-1-yl]-1-(4-methylsulfinylphenyl)ethanone?
The IUPAC name of 2-[4-(imidazo[1,2-a]pyridine-8-carbonyl)piperazin-1-yl]-1-(4-methylsulfinylphenyl)ethanone (CID 143764313) is 2-[4-(imidazo[1,2-a]pyridine-8-carbonyl)piperazin-1-yl]-1-(4-methylsulfinylphenyl)ethanone.
What is the SMILES notation for 2-[4-(imidazo[1,2-a]pyridine-8-carbonyl)piperazin-1-yl]-1-(4-methylsulfinylphenyl)ethanone?
The canonical SMILES for 2-[4-(imidazo[1,2-a]pyridine-8-carbonyl)piperazin-1-yl]-1-(4-methylsulfinylphenyl)ethanone is CS(=O)c1ccc(C(=O)CN2CCN(C(=O)c3cccn4ccnc34)CC2)cc1.
What is the InChIKey of 2-[4-(imidazo[1,2-a]pyridine-8-carbonyl)piperazin-1-yl]-1-(4-methylsulfinylphenyl)ethanone?
The InChIKey is UADVWOIJKHGGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3S/c1-29(28)17-6-4-16(5-7-17)19(26)15-23-11-13-25(14-12-23)21(27)18-3-2-9-24-10-8-22-20(18)24/h2-10H,11-15H2,1H3.
What are the key properties of 2-[4-(imidazo[1,2-a]pyridine-8-carbonyl)piperazin-1-yl]-1-(4-methylsulfinylphenyl)ethanone?
2-[4-(imidazo[1,2-a]pyridine-8-carbonyl)piperazin-1-yl]-1-(4-methylsulfinylphenyl)ethanone has a molecular weight of 410.50 g/mol, XLogP of 1.71, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(imidazo[1,2-a]pyridine-8-carbonyl)piperazin-1-yl]-1-(4-methylsulfinylphenyl)ethanone is sourced from PubChem (CID 143764313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).