2-(oxolan-2-yl)-3-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]imidazo[4,5-b]pyridine

C22H23F3N4O3S — CID 45167058

IUPAC2-(oxolan-2-yl)-3-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]imidazo[4,5-b]pyridine
SMILESO=S(=O)(c1cccc(C(F)(F)F)c1)N1CCC(n2c(C3CCCO3)nc3cccnc32)CC1
InChIInChI=1S/C22H23F3N4O3S/c23-22(24,25)15-4-1-5-17(14-15)33(30,31)28-11-8-16(9-12-28)29-20-18(6-2-10-26-20)27-21(29)19-7-3-13-32-19/h1-2,4-6,10,14,16,19H,3,7-9,11-13H2
InChIKeyOCRHOVSUXUHZEA-UHFFFAOYSA-N
MW480.51 g/mol
LogP4.33
Rot. Bonds4

About 2-(oxolan-2-yl)-3-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]imidazo[4,5-b]pyridine

2-(oxolan-2-yl)-3-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]imidazo[4,5-b]pyridine (PubChem CID 45167058) has the molecular formula C22H23F3N4O3S and a molecular weight of 480.51 g/mol. Its IUPAC name is 2-(oxolan-2-yl)-3-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(oxolan-2-yl)-3-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]imidazo[4,5-b]pyridine
PubChem CID45167058
Molecular FormulaC22H23F3N4O3S
Molecular Weight480.51 g/mol
Exact Mass480.14
IUPAC Name2-(oxolan-2-yl)-3-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]imidazo[4,5-b]pyridine
SMILESO=S(=O)(c1cccc(C(F)(F)F)c1)N1CCC(n2c(C3CCCO3)nc3cccnc32)CC1
InChIInChI=1S/C22H23F3N4O3S/c23-22(24,25)15-4-1-5-17(14-15)33(30,31)28-11-8-16(9-12-28)29-20-18(6-2-10-26-20)27-21(29)19-7-3-13-32-19/h1-2,4-6,10,14,16,19H,3,7-9,11-13H2
InChIKeyOCRHOVSUXUHZEA-UHFFFAOYSA-N
XLogP4.33
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.51
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-yl)-3-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]imidazo[4,5-b]pyridine?
The IUPAC name of 2-(oxolan-2-yl)-3-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]imidazo[4,5-b]pyridine (CID 45167058) is 2-(oxolan-2-yl)-3-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(oxolan-2-yl)-3-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(oxolan-2-yl)-3-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]imidazo[4,5-b]pyridine is O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCC(n2c(C3CCCO3)nc3cccnc32)CC1.
What is the InChIKey of 2-(oxolan-2-yl)-3-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]imidazo[4,5-b]pyridine?
The InChIKey is OCRHOVSUXUHZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N4O3S/c23-22(24,25)15-4-1-5-17(14-15)33(30,31)28-11-8-16(9-12-28)29-20-18(6-2-10-26-20)27-21(29)19-7-3-13-32-19/h1-2,4-6,10,14,16,19H,3,7-9,11-13H2.
What are the key properties of 2-(oxolan-2-yl)-3-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]imidazo[4,5-b]pyridine?
2-(oxolan-2-yl)-3-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]imidazo[4,5-b]pyridine has a molecular weight of 480.51 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-yl)-3-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 45167058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).