3-[2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-2-(trifluoromethyl)imidazo[4,5-b]pyridine

C21H24F3N5O3S — CID 20955853

IUPAC3-[2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-2-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESCCOc1ccc(S(=O)(=O)N2CCN(CCn3c(C(F)(F)F)nc4cccnc43)CC2)cc1
InChIInChI=1S/C21H24F3N5O3S/c1-2-32-16-5-7-17(8-6-16)33(30,31)28-13-10-27(11-14-28)12-15-29-19-18(4-3-9-25-19)26-20(29)21(22,23)24/h3-9H,2,10-15H2,1H3
InChIKeyMPXFTJNJLBQCKB-UHFFFAOYSA-N
MW483.52 g/mol
LogP2.86
Rot. Bonds7

About 3-[2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-2-(trifluoromethyl)imidazo[4,5-b]pyridine

3-[2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-2-(trifluoromethyl)imidazo[4,5-b]pyridine (PubChem CID 20955853) has the molecular formula C21H24F3N5O3S and a molecular weight of 483.52 g/mol. Its IUPAC name is 3-[2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-2-(trifluoromethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-[2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-2-(trifluoromethyl)imidazo[4,5-b]pyridine
PubChem CID20955853
Molecular FormulaC21H24F3N5O3S
Molecular Weight483.52 g/mol
Exact Mass483.16
IUPAC Name3-[2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-2-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESCCOc1ccc(S(=O)(=O)N2CCN(CCn3c(C(F)(F)F)nc4cccnc43)CC2)cc1
InChIInChI=1S/C21H24F3N5O3S/c1-2-32-16-5-7-17(8-6-16)33(30,31)28-13-10-27(11-14-28)12-15-29-19-18(4-3-9-25-19)26-20(29)21(22,23)24/h3-9H,2,10-15H2,1H3
InChIKeyMPXFTJNJLBQCKB-UHFFFAOYSA-N
XLogP2.86
TPSA80.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.52
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-2-(trifluoromethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-[2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-2-(trifluoromethyl)imidazo[4,5-b]pyridine (CID 20955853) is 3-[2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-2-(trifluoromethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-[2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-2-(trifluoromethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-[2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-2-(trifluoromethyl)imidazo[4,5-b]pyridine is CCOc1ccc(S(=O)(=O)N2CCN(CCn3c(C(F)(F)F)nc4cccnc43)CC2)cc1.
What is the InChIKey of 3-[2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-2-(trifluoromethyl)imidazo[4,5-b]pyridine?
The InChIKey is MPXFTJNJLBQCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N5O3S/c1-2-32-16-5-7-17(8-6-16)33(30,31)28-13-10-27(11-14-28)12-15-29-19-18(4-3-9-25-19)26-20(29)21(22,23)24/h3-9H,2,10-15H2,1H3.
What are the key properties of 3-[2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-2-(trifluoromethyl)imidazo[4,5-b]pyridine?
3-[2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-2-(trifluoromethyl)imidazo[4,5-b]pyridine has a molecular weight of 483.52 g/mol, XLogP of 2.86, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-2-(trifluoromethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 20955853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).