5-(2-fluoro-4-methylsulfonylphenyl)-2-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]furo[2,3-c]pyridine

C24H24F4N2O3S — CID 71736721

IUPAC5-(2-fluoro-4-methylsulfonylphenyl)-2-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]furo[2,3-c]pyridine
SMILESCS(=O)(=O)c1ccc(-c2cc3cc(C4CCN(CC5(C(F)(F)F)CC5)CC4)oc3cn2)c(F)c1
InChIInChI=1S/C24H24F4N2O3S/c1-34(31,32)17-2-3-18(19(25)12-17)20-10-16-11-21(33-22(16)13-29-20)15-4-8-30(9-5-15)14-23(6-7-23)24(26,27)28/h2-3,10-13,15H,4-9,14H2,1H3
InChIKeyXXDWHMPWRBYCOF-UHFFFAOYSA-N
MW496.53 g/mol
LogP5.56
Rot. Bonds5

About 5-(2-fluoro-4-methylsulfonylphenyl)-2-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]furo[2,3-c]pyridine

5-(2-fluoro-4-methylsulfonylphenyl)-2-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]furo[2,3-c]pyridine (PubChem CID 71736721) has the molecular formula C24H24F4N2O3S and a molecular weight of 496.53 g/mol. Its IUPAC name is 5-(2-fluoro-4-methylsulfonylphenyl)-2-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]furo[2,3-c]pyridine.

Molecular Properties

Compound Name5-(2-fluoro-4-methylsulfonylphenyl)-2-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]furo[2,3-c]pyridine
PubChem CID71736721
Molecular FormulaC24H24F4N2O3S
Molecular Weight496.53 g/mol
Exact Mass496.14
IUPAC Name5-(2-fluoro-4-methylsulfonylphenyl)-2-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]furo[2,3-c]pyridine
SMILESCS(=O)(=O)c1ccc(-c2cc3cc(C4CCN(CC5(C(F)(F)F)CC5)CC4)oc3cn2)c(F)c1
InChIInChI=1S/C24H24F4N2O3S/c1-34(31,32)17-2-3-18(19(25)12-17)20-10-16-11-21(33-22(16)13-29-20)15-4-8-30(9-5-15)14-23(6-7-23)24(26,27)28/h2-3,10-13,15H,4-9,14H2,1H3
InChIKeyXXDWHMPWRBYCOF-UHFFFAOYSA-N
XLogP5.56
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.53
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(2-fluoro-4-methylsulfonylphenyl)-2-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]furo[2,3-c]pyridine with MolForge

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Related Compounds

5-(5-Methyl-1,3,4-oxadiazol-2-yl)-3-[4-(methylsulfinyl)phenyl]furo[2,3-c]pyridine
CID 45482749
US10865384, Example 5a
CID 21704192
4-[5-(2-Fluoro-4-methanesulfonyl-phenyl)-furo[2,3-c]pyridin-2-yl]-piperidine-1-carboxylic acid tert-butyl ester
CID 67973596
4-[5-(4-Methanesulfonylphenyl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylic acid tert-butyl ester
CID 67973622
4-[5-(1-Methanesulfonyl-1,2,3,6-tetrahydro-pyridin-4-yl)-furo[2,3-c]pyridin-2-yl]-piperidine-1-carboxylic acid tert-butyl ester
CID 71736241
4-[5-(3-Fluoro-4-methanesulfonyl-phenyl)-furo[2,3-c]pyridin-2-yl]-piperidine-1-carboxylic acid tert-butyl ester
CID 71736412
4-[5-(4-Methanesulfonylamino-phenyl)-furo[2,3-c]pyridin-2-yl]-piperidine-1-carboxylic acid tert-butyl ester
CID 71736413
4-[5-(4-Methanesulfonylmethyl-phenyl)-furo[2,3-c]pyridin-2-yl]-piperidine-1-carboxylic acid tert-butyl ester
CID 71736573
4-[5-(3-Fluoro-pyridin-4-yl)-furo[2,3-c]pyridin-2-yl]-piperidine-1-carboxylic acid tert-butyl ester
CID 71736719
2-[1-(5-Ethyl-pyrimidin-2-yl)-piperidin-4-yl]-5-(2-fluoro-4-methanesulfonyl-phenyl)-furo[2,3-c]pyridine
CID 71736720
5-(2-Fluoro-4-methanesulfonyl-phenyl)-2-[1-(2-fluoro-2-methyl-propyl)-piperidin-4-yl]-furo[2,3-c]pyridine
CID 71736722
4-[5-(2-Fluoro-4-methanesulfonyl-phenyl)-furo[2,3-c]pyridin-2-yl]-piperidine-1-carboxylic acid isopropyl ester
CID 71736723

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-4-methylsulfonylphenyl)-2-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]furo[2,3-c]pyridine?
The IUPAC name of 5-(2-fluoro-4-methylsulfonylphenyl)-2-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]furo[2,3-c]pyridine (CID 71736721) is 5-(2-fluoro-4-methylsulfonylphenyl)-2-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]furo[2,3-c]pyridine.
What is the SMILES notation for 5-(2-fluoro-4-methylsulfonylphenyl)-2-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]furo[2,3-c]pyridine?
The canonical SMILES for 5-(2-fluoro-4-methylsulfonylphenyl)-2-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]furo[2,3-c]pyridine is CS(=O)(=O)c1ccc(-c2cc3cc(C4CCN(CC5(C(F)(F)F)CC5)CC4)oc3cn2)c(F)c1.
What is the InChIKey of 5-(2-fluoro-4-methylsulfonylphenyl)-2-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]furo[2,3-c]pyridine?
The InChIKey is XXDWHMPWRBYCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F4N2O3S/c1-34(31,32)17-2-3-18(19(25)12-17)20-10-16-11-21(33-22(16)13-29-20)15-4-8-30(9-5-15)14-23(6-7-23)24(26,27)28/h2-3,10-13,15H,4-9,14H2,1H3.
What are the key properties of 5-(2-fluoro-4-methylsulfonylphenyl)-2-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]furo[2,3-c]pyridine?
5-(2-fluoro-4-methylsulfonylphenyl)-2-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]furo[2,3-c]pyridine has a molecular weight of 496.53 g/mol, XLogP of 5.56, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-4-methylsulfonylphenyl)-2-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]furo[2,3-c]pyridine is sourced from PubChem (CID 71736721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).