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

C16H16FN5O2S — CID 162646981

IUPAC1-(3-fluorophenyl)sulfonyl-4-piperazin-1-ylimidazo[4,5-c]pyridine
SMILESO=S(=O)(c1cccc(F)c1)n1cnc2c(N3CCNCC3)nccc21
InChIInChI=1S/C16H16FN5O2S/c17-12-2-1-3-13(10-12)25(23,24)22-11-20-15-14(22)4-5-19-16(15)21-8-6-18-7-9-21/h1-5,10-11,18H,6-9H2
InChIKeyAKWDQCXADBCXRJ-UHFFFAOYSA-N
MW361.40 g/mol
LogP1.22
Rot. Bonds3

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

1-(3-fluorophenyl)sulfonyl-4-piperazin-1-ylimidazo[4,5-c]pyridine (PubChem CID 162646981) has the molecular formula C16H16FN5O2S and a molecular weight of 361.40 g/mol. Its IUPAC name is 1-(3-fluorophenyl)sulfonyl-4-piperazin-1-ylimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-(3-fluorophenyl)sulfonyl-4-piperazin-1-ylimidazo[4,5-c]pyridine
PubChem CID162646981
Molecular FormulaC16H16FN5O2S
Molecular Weight361.40 g/mol
Exact Mass361.10
IUPAC Name1-(3-fluorophenyl)sulfonyl-4-piperazin-1-ylimidazo[4,5-c]pyridine
SMILESO=S(=O)(c1cccc(F)c1)n1cnc2c(N3CCNCC3)nccc21
InChIInChI=1S/C16H16FN5O2S/c17-12-2-1-3-13(10-12)25(23,24)22-11-20-15-14(22)4-5-19-16(15)21-8-6-18-7-9-21/h1-5,10-11,18H,6-9H2
InChIKeyAKWDQCXADBCXRJ-UHFFFAOYSA-N
XLogP1.22
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)sulfonyl-4-piperazin-1-ylimidazo[4,5-c]pyridine?
The IUPAC name of 1-(3-fluorophenyl)sulfonyl-4-piperazin-1-ylimidazo[4,5-c]pyridine (CID 162646981) is 1-(3-fluorophenyl)sulfonyl-4-piperazin-1-ylimidazo[4,5-c]pyridine.
What is the SMILES notation for 1-(3-fluorophenyl)sulfonyl-4-piperazin-1-ylimidazo[4,5-c]pyridine?
The canonical SMILES for 1-(3-fluorophenyl)sulfonyl-4-piperazin-1-ylimidazo[4,5-c]pyridine is O=S(=O)(c1cccc(F)c1)n1cnc2c(N3CCNCC3)nccc21.
What is the InChIKey of 1-(3-fluorophenyl)sulfonyl-4-piperazin-1-ylimidazo[4,5-c]pyridine?
The InChIKey is AKWDQCXADBCXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5O2S/c17-12-2-1-3-13(10-12)25(23,24)22-11-20-15-14(22)4-5-19-16(15)21-8-6-18-7-9-21/h1-5,10-11,18H,6-9H2.
What are the key properties of 1-(3-fluorophenyl)sulfonyl-4-piperazin-1-ylimidazo[4,5-c]pyridine?
1-(3-fluorophenyl)sulfonyl-4-piperazin-1-ylimidazo[4,5-c]pyridine has a molecular weight of 361.40 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)sulfonyl-4-piperazin-1-ylimidazo[4,5-c]pyridine is sourced from PubChem (CID 162646981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).