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

C24H25FN2O5S — CID 71736724

IUPAC(1-methylcyclopropyl) 4-[5-(2-fluoro-4-methylsulfonylphenyl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate
SMILESCC1(OC(=O)N2CCC(c3cc4cc(-c5ccc(S(C)(=O)=O)cc5F)ncc4o3)CC2)CC1
InChIInChI=1S/C24H25FN2O5S/c1-24(7-8-24)32-23(28)27-9-5-15(6-10-27)21-12-16-11-20(26-14-22(16)31-21)18-4-3-17(13-19(18)25)33(2,29)30/h3-4,11-15H,5-10H2,1-2H3
InChIKeyADPGUJRLSZAKJG-UHFFFAOYSA-N
MW472.54 g/mol
LogP4.91
Rot. Bonds4

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

(1-methylcyclopropyl) 4-[5-(2-fluoro-4-methylsulfonylphenyl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate (PubChem CID 71736724) has the molecular formula C24H25FN2O5S and a molecular weight of 472.54 g/mol. Its IUPAC name is (1-methylcyclopropyl) 4-[5-(2-fluoro-4-methylsulfonylphenyl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Name(1-methylcyclopropyl) 4-[5-(2-fluoro-4-methylsulfonylphenyl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate
PubChem CID71736724
Molecular FormulaC24H25FN2O5S
Molecular Weight472.54 g/mol
Exact Mass472.15
IUPAC Name(1-methylcyclopropyl) 4-[5-(2-fluoro-4-methylsulfonylphenyl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate
SMILESCC1(OC(=O)N2CCC(c3cc4cc(-c5ccc(S(C)(=O)=O)cc5F)ncc4o3)CC2)CC1
InChIInChI=1S/C24H25FN2O5S/c1-24(7-8-24)32-23(28)27-9-5-15(6-10-27)21-12-16-11-20(26-14-22(16)31-21)18-4-3-17(13-19(18)25)33(2,29)30/h3-4,11-15H,5-10H2,1-2H3
InChIKeyADPGUJRLSZAKJG-UHFFFAOYSA-N
XLogP4.91
TPSA89.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.54
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1-methylcyclopropyl) 4-[5-(2-fluoro-4-methylsulfonylphenyl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate?
The IUPAC name of (1-methylcyclopropyl) 4-[5-(2-fluoro-4-methylsulfonylphenyl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate (CID 71736724) is (1-methylcyclopropyl) 4-[5-(2-fluoro-4-methylsulfonylphenyl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate.
What is the SMILES notation for (1-methylcyclopropyl) 4-[5-(2-fluoro-4-methylsulfonylphenyl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate?
The canonical SMILES for (1-methylcyclopropyl) 4-[5-(2-fluoro-4-methylsulfonylphenyl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate is CC1(OC(=O)N2CCC(c3cc4cc(-c5ccc(S(C)(=O)=O)cc5F)ncc4o3)CC2)CC1.
What is the InChIKey of (1-methylcyclopropyl) 4-[5-(2-fluoro-4-methylsulfonylphenyl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate?
The InChIKey is ADPGUJRLSZAKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O5S/c1-24(7-8-24)32-23(28)27-9-5-15(6-10-27)21-12-16-11-20(26-14-22(16)31-21)18-4-3-17(13-19(18)25)33(2,29)30/h3-4,11-15H,5-10H2,1-2H3.
What are the key properties of (1-methylcyclopropyl) 4-[5-(2-fluoro-4-methylsulfonylphenyl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate?
(1-methylcyclopropyl) 4-[5-(2-fluoro-4-methylsulfonylphenyl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate has a molecular weight of 472.54 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcyclopropyl) 4-[5-(2-fluoro-4-methylsulfonylphenyl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate is sourced from PubChem (CID 71736724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).