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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Related Compounds

3-[2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-2-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 20955854
1-(4-ethoxyphenyl)sulfonyl-4-(2-imidazol-1-ylethyl)piperazine
CID 90533570
4-propyl-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzenesulfonamide
CID 50762290
1-(4-ethoxyphenyl)sulfonyl-4-methylsulfonylpiperazine
CID 2448017
1-tert-butyl-4-(4-ethoxyphenyl)sulfonylpiperazine
CID 113074890
1-(4-ethoxyphenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine
CID 38253871
3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 121060928
2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-3-(4-methoxyphenyl)imidazo[4,5-b]pyridine
CID 46389083
2-[(3R)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]-3-methylimidazo[4,5-b]pyridine
CID 95110337
2-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]oxypyrimidine
CID 90558894
N-[2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-4-methylbenzenesulfonamide
CID 4830106
1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 4882768

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).