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

C17H19N5O3S — CID 162655699

IUPAC1-(3-methoxyphenyl)sulfonyl-4-piperazin-1-ylimidazo[4,5-c]pyridine
SMILESCOc1cccc(S(=O)(=O)n2cnc3c(N4CCNCC4)nccc32)c1
InChIInChI=1S/C17H19N5O3S/c1-25-13-3-2-4-14(11-13)26(23,24)22-12-20-16-15(22)5-6-19-17(16)21-9-7-18-8-10-21/h2-6,11-12,18H,7-10H2,1H3
InChIKeyAYCFNZPRLOAXAZ-UHFFFAOYSA-N
MW373.44 g/mol
LogP1.09
Rot. Bonds4

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

1-(3-methoxyphenyl)sulfonyl-4-piperazin-1-ylimidazo[4,5-c]pyridine (PubChem CID 162655699) has the molecular formula C17H19N5O3S and a molecular weight of 373.44 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)sulfonyl-4-piperazin-1-ylimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)sulfonyl-4-piperazin-1-ylimidazo[4,5-c]pyridine
PubChem CID162655699
Molecular FormulaC17H19N5O3S
Molecular Weight373.44 g/mol
Exact Mass373.12
IUPAC Name1-(3-methoxyphenyl)sulfonyl-4-piperazin-1-ylimidazo[4,5-c]pyridine
SMILESCOc1cccc(S(=O)(=O)n2cnc3c(N4CCNCC4)nccc32)c1
InChIInChI=1S/C17H19N5O3S/c1-25-13-3-2-4-14(11-13)26(23,24)22-12-20-16-15(22)5-6-19-17(16)21-9-7-18-8-10-21/h2-6,11-12,18H,7-10H2,1H3
InChIKeyAYCFNZPRLOAXAZ-UHFFFAOYSA-N
XLogP1.09
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)sulfonyl-4-piperazin-1-ylimidazo[4,5-c]pyridine?
The IUPAC name of 1-(3-methoxyphenyl)sulfonyl-4-piperazin-1-ylimidazo[4,5-c]pyridine (CID 162655699) is 1-(3-methoxyphenyl)sulfonyl-4-piperazin-1-ylimidazo[4,5-c]pyridine.
What is the SMILES notation for 1-(3-methoxyphenyl)sulfonyl-4-piperazin-1-ylimidazo[4,5-c]pyridine?
The canonical SMILES for 1-(3-methoxyphenyl)sulfonyl-4-piperazin-1-ylimidazo[4,5-c]pyridine is COc1cccc(S(=O)(=O)n2cnc3c(N4CCNCC4)nccc32)c1.
What is the InChIKey of 1-(3-methoxyphenyl)sulfonyl-4-piperazin-1-ylimidazo[4,5-c]pyridine?
The InChIKey is AYCFNZPRLOAXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3S/c1-25-13-3-2-4-14(11-13)26(23,24)22-12-20-16-15(22)5-6-19-17(16)21-9-7-18-8-10-21/h2-6,11-12,18H,7-10H2,1H3.
What are the key properties of 1-(3-methoxyphenyl)sulfonyl-4-piperazin-1-ylimidazo[4,5-c]pyridine?
1-(3-methoxyphenyl)sulfonyl-4-piperazin-1-ylimidazo[4,5-c]pyridine has a molecular weight of 373.44 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)sulfonyl-4-piperazin-1-ylimidazo[4,5-c]pyridine is sourced from PubChem (CID 162655699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).