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

C18H20FN5O2S — CID 126720397

IUPAC2-ethyl-1-(3-fluorophenyl)sulfonyl-4-piperazin-1-ylimidazo[4,5-c]pyridine
SMILESCCc1nc2c(N3CCNCC3)nccc2n1S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C18H20FN5O2S/c1-2-16-22-17-15(6-7-21-18(17)23-10-8-20-9-11-23)24(16)27(25,26)14-5-3-4-13(19)12-14/h3-7,12,20H,2,8-11H2,1H3
InChIKeyUXDZDQRAGSHUBW-UHFFFAOYSA-N
MW389.46 g/mol
LogP1.78
Rot. Bonds4

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

2-ethyl-1-(3-fluorophenyl)sulfonyl-4-piperazin-1-ylimidazo[4,5-c]pyridine (PubChem CID 126720397) has the molecular formula C18H20FN5O2S and a molecular weight of 389.46 g/mol. Its IUPAC name is 2-ethyl-1-(3-fluorophenyl)sulfonyl-4-piperazin-1-ylimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-ethyl-1-(3-fluorophenyl)sulfonyl-4-piperazin-1-ylimidazo[4,5-c]pyridine
PubChem CID126720397
Molecular FormulaC18H20FN5O2S
Molecular Weight389.46 g/mol
Exact Mass389.13
IUPAC Name2-ethyl-1-(3-fluorophenyl)sulfonyl-4-piperazin-1-ylimidazo[4,5-c]pyridine
SMILESCCc1nc2c(N3CCNCC3)nccc2n1S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C18H20FN5O2S/c1-2-16-22-17-15(6-7-21-18(17)23-10-8-20-9-11-23)24(16)27(25,26)14-5-3-4-13(19)12-14/h3-7,12,20H,2,8-11H2,1H3
InChIKeyUXDZDQRAGSHUBW-UHFFFAOYSA-N
XLogP1.78
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(3-fluorophenyl)sulfonyl-4-piperazin-1-ylimidazo[4,5-c]pyridine?
The IUPAC name of 2-ethyl-1-(3-fluorophenyl)sulfonyl-4-piperazin-1-ylimidazo[4,5-c]pyridine (CID 126720397) is 2-ethyl-1-(3-fluorophenyl)sulfonyl-4-piperazin-1-ylimidazo[4,5-c]pyridine.
What is the SMILES notation for 2-ethyl-1-(3-fluorophenyl)sulfonyl-4-piperazin-1-ylimidazo[4,5-c]pyridine?
The canonical SMILES for 2-ethyl-1-(3-fluorophenyl)sulfonyl-4-piperazin-1-ylimidazo[4,5-c]pyridine is CCc1nc2c(N3CCNCC3)nccc2n1S(=O)(=O)c1cccc(F)c1.
What is the InChIKey of 2-ethyl-1-(3-fluorophenyl)sulfonyl-4-piperazin-1-ylimidazo[4,5-c]pyridine?
The InChIKey is UXDZDQRAGSHUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5O2S/c1-2-16-22-17-15(6-7-21-18(17)23-10-8-20-9-11-23)24(16)27(25,26)14-5-3-4-13(19)12-14/h3-7,12,20H,2,8-11H2,1H3.
What are the key properties of 2-ethyl-1-(3-fluorophenyl)sulfonyl-4-piperazin-1-ylimidazo[4,5-c]pyridine?
2-ethyl-1-(3-fluorophenyl)sulfonyl-4-piperazin-1-ylimidazo[4,5-c]pyridine has a molecular weight of 389.46 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(3-fluorophenyl)sulfonyl-4-piperazin-1-ylimidazo[4,5-c]pyridine is sourced from PubChem (CID 126720397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).