propan-2-yl 4-[5-(2-fluoro-4-methylsulfonylphenyl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate

C23H25FN2O5S — CID 71736723

IUPACpropan-2-yl 4-[5-(2-fluoro-4-methylsulfonylphenyl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate
SMILESCC(C)OC(=O)N1CCC(c2cc3cc(-c4ccc(S(C)(=O)=O)cc4F)ncc3o2)CC1
InChIInChI=1S/C23H25FN2O5S/c1-14(2)30-23(27)26-8-6-15(7-9-26)21-11-16-10-20(25-13-22(16)31-21)18-5-4-17(12-19(18)24)32(3,28)29/h4-5,10-15H,6-9H2,1-3H3
InChIKeyUZPVZCMFUIHSLF-UHFFFAOYSA-N
MW460.53 g/mol
LogP4.76
Rot. Bonds4

About propan-2-yl 4-[5-(2-fluoro-4-methylsulfonylphenyl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate

propan-2-yl 4-[5-(2-fluoro-4-methylsulfonylphenyl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate (PubChem CID 71736723) has the molecular formula C23H25FN2O5S and a molecular weight of 460.53 g/mol. Its IUPAC name is propan-2-yl 4-[5-(2-fluoro-4-methylsulfonylphenyl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-[5-(2-fluoro-4-methylsulfonylphenyl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate
PubChem CID71736723
Molecular FormulaC23H25FN2O5S
Molecular Weight460.53 g/mol
Exact Mass460.15
IUPAC Namepropan-2-yl 4-[5-(2-fluoro-4-methylsulfonylphenyl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate
SMILESCC(C)OC(=O)N1CCC(c2cc3cc(-c4ccc(S(C)(=O)=O)cc4F)ncc3o2)CC1
InChIInChI=1S/C23H25FN2O5S/c1-14(2)30-23(27)26-8-6-15(7-9-26)21-11-16-10-20(25-13-22(16)31-21)18-5-4-17(12-19(18)24)32(3,28)29/h4-5,10-15H,6-9H2,1-3H3
InChIKeyUZPVZCMFUIHSLF-UHFFFAOYSA-N
XLogP4.76
TPSA89.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[5-(2-fluoro-4-methylsulfonylphenyl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate?
The IUPAC name of propan-2-yl 4-[5-(2-fluoro-4-methylsulfonylphenyl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate (CID 71736723) is propan-2-yl 4-[5-(2-fluoro-4-methylsulfonylphenyl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-[5-(2-fluoro-4-methylsulfonylphenyl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate?
The canonical SMILES for propan-2-yl 4-[5-(2-fluoro-4-methylsulfonylphenyl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate is CC(C)OC(=O)N1CCC(c2cc3cc(-c4ccc(S(C)(=O)=O)cc4F)ncc3o2)CC1.
What is the InChIKey of propan-2-yl 4-[5-(2-fluoro-4-methylsulfonylphenyl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate?
The InChIKey is UZPVZCMFUIHSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O5S/c1-14(2)30-23(27)26-8-6-15(7-9-26)21-11-16-10-20(25-13-22(16)31-21)18-5-4-17(12-19(18)24)32(3,28)29/h4-5,10-15H,6-9H2,1-3H3.
What are the key properties of propan-2-yl 4-[5-(2-fluoro-4-methylsulfonylphenyl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate?
propan-2-yl 4-[5-(2-fluoro-4-methylsulfonylphenyl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate has a molecular weight of 460.53 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[5-(2-fluoro-4-methylsulfonylphenyl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate is sourced from PubChem (CID 71736723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).