1-[4-[5-(2-fluoro-4-methylsulfonylphenyl)furo[2,3-c]pyridin-2-yl]piperidin-1-yl]-2-methylpropan-2-ol

C23H27FN2O4S — CID 86694578

IUPAC1-[4-[5-(2-fluoro-4-methylsulfonylphenyl)furo[2,3-c]pyridin-2-yl]piperidin-1-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)CN1CCC(c2cc3cc(-c4ccc(S(C)(=O)=O)cc4F)ncc3o2)CC1
InChIInChI=1S/C23H27FN2O4S/c1-23(2,27)14-26-8-6-15(7-9-26)21-11-16-10-20(25-13-22(16)30-21)18-5-4-17(12-19(18)24)31(3,28)29/h4-5,10-13,15,27H,6-9,14H2,1-3H3
InChIKeyNEQABMDOHJXBRS-UHFFFAOYSA-N
MW446.54 g/mol
LogP3.99
Rot. Bonds5

About 1-[4-[5-(2-fluoro-4-methylsulfonylphenyl)furo[2,3-c]pyridin-2-yl]piperidin-1-yl]-2-methylpropan-2-ol

1-[4-[5-(2-fluoro-4-methylsulfonylphenyl)furo[2,3-c]pyridin-2-yl]piperidin-1-yl]-2-methylpropan-2-ol (PubChem CID 86694578) has the molecular formula C23H27FN2O4S and a molecular weight of 446.54 g/mol. Its IUPAC name is 1-[4-[5-(2-fluoro-4-methylsulfonylphenyl)furo[2,3-c]pyridin-2-yl]piperidin-1-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-[5-(2-fluoro-4-methylsulfonylphenyl)furo[2,3-c]pyridin-2-yl]piperidin-1-yl]-2-methylpropan-2-ol
PubChem CID86694578
Molecular FormulaC23H27FN2O4S
Molecular Weight446.54 g/mol
Exact Mass446.17
IUPAC Name1-[4-[5-(2-fluoro-4-methylsulfonylphenyl)furo[2,3-c]pyridin-2-yl]piperidin-1-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)CN1CCC(c2cc3cc(-c4ccc(S(C)(=O)=O)cc4F)ncc3o2)CC1
InChIInChI=1S/C23H27FN2O4S/c1-23(2,27)14-26-8-6-15(7-9-26)21-11-16-10-20(25-13-22(16)30-21)18-5-4-17(12-19(18)24)31(3,28)29/h4-5,10-13,15,27H,6-9,14H2,1-3H3
InChIKeyNEQABMDOHJXBRS-UHFFFAOYSA-N
XLogP3.99
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.54
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-[3-(2-methylphenoxy)-3-phenylpropyl]carbamic acid phenyl ester
CID 71727460
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-Cyano-3-fluoro-phenyl)-furo[2,3-c]pyridin-2-yl]-piperidine-1-carboxylic acid tert-butyl ester
CID 71736415
4-[5-(2-Fluoro-4-aminocarbonyl-phenyl)-furo[2,3-c]pyridin-2-yl]-piperidine-1-carboxylic acid tert-butyl ester
CID 71736417
4-[5-(4-Cyano-2-fluoro-phenyl)-furo[2,3-c]pyridin-2-yl]-piperidine-1-carboxylic acid tert-butyl ester
CID 71736569
4-(5-Pyridin-4-yl-furo[2,3-c]pyridin-2-yl)-piperidine-1-carboxylic acid tert-butyl ester
CID 71736572

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(2-fluoro-4-methylsulfonylphenyl)furo[2,3-c]pyridin-2-yl]piperidin-1-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[4-[5-(2-fluoro-4-methylsulfonylphenyl)furo[2,3-c]pyridin-2-yl]piperidin-1-yl]-2-methylpropan-2-ol (CID 86694578) is 1-[4-[5-(2-fluoro-4-methylsulfonylphenyl)furo[2,3-c]pyridin-2-yl]piperidin-1-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-[5-(2-fluoro-4-methylsulfonylphenyl)furo[2,3-c]pyridin-2-yl]piperidin-1-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-[5-(2-fluoro-4-methylsulfonylphenyl)furo[2,3-c]pyridin-2-yl]piperidin-1-yl]-2-methylpropan-2-ol is CC(C)(O)CN1CCC(c2cc3cc(-c4ccc(S(C)(=O)=O)cc4F)ncc3o2)CC1.
What is the InChIKey of 1-[4-[5-(2-fluoro-4-methylsulfonylphenyl)furo[2,3-c]pyridin-2-yl]piperidin-1-yl]-2-methylpropan-2-ol?
The InChIKey is NEQABMDOHJXBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O4S/c1-23(2,27)14-26-8-6-15(7-9-26)21-11-16-10-20(25-13-22(16)30-21)18-5-4-17(12-19(18)24)31(3,28)29/h4-5,10-13,15,27H,6-9,14H2,1-3H3.
What are the key properties of 1-[4-[5-(2-fluoro-4-methylsulfonylphenyl)furo[2,3-c]pyridin-2-yl]piperidin-1-yl]-2-methylpropan-2-ol?
1-[4-[5-(2-fluoro-4-methylsulfonylphenyl)furo[2,3-c]pyridin-2-yl]piperidin-1-yl]-2-methylpropan-2-ol has a molecular weight of 446.54 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(2-fluoro-4-methylsulfonylphenyl)furo[2,3-c]pyridin-2-yl]piperidin-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 86694578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).