1-(3-methoxyphenyl)sulfonyl-2-phenyl-4-piperazin-1-ylimidazo[4,5-c]pyridine

C23H23N5O3S — CID 162656454

IUPAC1-(3-methoxyphenyl)sulfonyl-2-phenyl-4-piperazin-1-ylimidazo[4,5-c]pyridine
SMILESCOc1cccc(S(=O)(=O)n2c(-c3ccccc3)nc3c(N4CCNCC4)nccc32)c1
InChIInChI=1S/C23H23N5O3S/c1-31-18-8-5-9-19(16-18)32(29,30)28-20-10-11-25-23(27-14-12-24-13-15-27)21(20)26-22(28)17-6-3-2-4-7-17/h2-11,16,24H,12-15H2,1H3
InChIKeyCNEIJVYMDOYZCZ-UHFFFAOYSA-N
MW449.54 g/mol
LogP2.75
Rot. Bonds5

About 1-(3-methoxyphenyl)sulfonyl-2-phenyl-4-piperazin-1-ylimidazo[4,5-c]pyridine

1-(3-methoxyphenyl)sulfonyl-2-phenyl-4-piperazin-1-ylimidazo[4,5-c]pyridine (PubChem CID 162656454) has the molecular formula C23H23N5O3S and a molecular weight of 449.54 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)sulfonyl-2-phenyl-4-piperazin-1-ylimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)sulfonyl-2-phenyl-4-piperazin-1-ylimidazo[4,5-c]pyridine
PubChem CID162656454
Molecular FormulaC23H23N5O3S
Molecular Weight449.54 g/mol
Exact Mass449.15
IUPAC Name1-(3-methoxyphenyl)sulfonyl-2-phenyl-4-piperazin-1-ylimidazo[4,5-c]pyridine
SMILESCOc1cccc(S(=O)(=O)n2c(-c3ccccc3)nc3c(N4CCNCC4)nccc32)c1
InChIInChI=1S/C23H23N5O3S/c1-31-18-8-5-9-19(16-18)32(29,30)28-20-10-11-25-23(27-14-12-24-13-15-27)21(20)26-22(28)17-6-3-2-4-7-17/h2-11,16,24H,12-15H2,1H3
InChIKeyCNEIJVYMDOYZCZ-UHFFFAOYSA-N
XLogP2.75
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.54
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

Sulmazole
CID 5353
Isomazole
CID 55690
2,4-Disubstituted Pyrimidine 2g
CID 5329420
N-{2-[5-(4-methoxyphenyl)-2-(pyridin-4-yl)-1H-imidazol-4-yl]ethyl}-4-pentylbenzene-1-sulfonamide
CID 24825356
N-{2-[5-(4-methoxyphenyl)-2-(pyridin-3-yl)-1H-imidazol-4-yl]ethyl}-4-pentylbenzene-1-sulfonamide
CID 24825358
3-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine
CID 25183355
4-((3-(6-Methoxypyridin-3-yl)imidazo[1,2-b]pyridazin-6-ylamino)methyl)benzenesulfonamide
CID 44530411
Isomazole Hydrochloride
CID 55689
1H-Purine, 8-(2-methoxy-4-(methylsulfinyl)phenyl)-
CID 3059918
N-{2-[5-(4-methoxyphenyl)-2-(pyridin-2-yl)-1H-imidazol-4-yl]ethyl}-4-pentylbenzene-1-sulfonamide
CID 24825357
N-{2-[5-(4-methoxyphenyl)-2-(pyrazin-2-yl)-1H-imidazol-4-yl]ethyl}-4-pentylbenzene-1-sulfonamide
CID 24825359
1H-Imidazole-4-sulfonamide, N-(6-methoxy-3-pyridinyl)-1,2-dimethyl-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]-
CID 25212177

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)sulfonyl-2-phenyl-4-piperazin-1-ylimidazo[4,5-c]pyridine?
The IUPAC name of 1-(3-methoxyphenyl)sulfonyl-2-phenyl-4-piperazin-1-ylimidazo[4,5-c]pyridine (CID 162656454) is 1-(3-methoxyphenyl)sulfonyl-2-phenyl-4-piperazin-1-ylimidazo[4,5-c]pyridine.
What is the SMILES notation for 1-(3-methoxyphenyl)sulfonyl-2-phenyl-4-piperazin-1-ylimidazo[4,5-c]pyridine?
The canonical SMILES for 1-(3-methoxyphenyl)sulfonyl-2-phenyl-4-piperazin-1-ylimidazo[4,5-c]pyridine is COc1cccc(S(=O)(=O)n2c(-c3ccccc3)nc3c(N4CCNCC4)nccc32)c1.
What is the InChIKey of 1-(3-methoxyphenyl)sulfonyl-2-phenyl-4-piperazin-1-ylimidazo[4,5-c]pyridine?
The InChIKey is CNEIJVYMDOYZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3S/c1-31-18-8-5-9-19(16-18)32(29,30)28-20-10-11-25-23(27-14-12-24-13-15-27)21(20)26-22(28)17-6-3-2-4-7-17/h2-11,16,24H,12-15H2,1H3.
What are the key properties of 1-(3-methoxyphenyl)sulfonyl-2-phenyl-4-piperazin-1-ylimidazo[4,5-c]pyridine?
1-(3-methoxyphenyl)sulfonyl-2-phenyl-4-piperazin-1-ylimidazo[4,5-c]pyridine has a molecular weight of 449.54 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)sulfonyl-2-phenyl-4-piperazin-1-ylimidazo[4,5-c]pyridine is sourced from PubChem (CID 162656454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).