N-[[5-[1-(2,2-difluoropropyl)piperidin-4-yl]sulfonyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide

C22H24F2N4O4S — CID 118193605

IUPACN-[[5-[1-(2,2-difluoropropyl)piperidin-4-yl]sulfonyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESCC(F)(F)CN1CCC(S(=O)(=O)c2ccc(CNC(=O)c3cc4ccncc4o3)nc2)CC1
InChIInChI=1S/C22H24F2N4O4S/c1-22(23,24)14-28-8-5-17(6-9-28)33(30,31)18-3-2-16(26-12-18)11-27-21(29)19-10-15-4-7-25-13-20(15)32-19/h2-4,7,10,12-13,17H,5-6,8-9,11,14H2,1H3,(H,27,29)
InChIKeyQGYGXMHMBGWRFS-UHFFFAOYSA-N
MW478.52 g/mol
LogP3.05
Rot. Bonds7

About N-[[5-[1-(2,2-difluoropropyl)piperidin-4-yl]sulfonyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide

N-[[5-[1-(2,2-difluoropropyl)piperidin-4-yl]sulfonyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide (PubChem CID 118193605) has the molecular formula C22H24F2N4O4S and a molecular weight of 478.52 g/mol. Its IUPAC name is N-[[5-[1-(2,2-difluoropropyl)piperidin-4-yl]sulfonyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[5-[1-(2,2-difluoropropyl)piperidin-4-yl]sulfonyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide
PubChem CID118193605
Molecular FormulaC22H24F2N4O4S
Molecular Weight478.52 g/mol
Exact Mass478.15
IUPAC NameN-[[5-[1-(2,2-difluoropropyl)piperidin-4-yl]sulfonyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESCC(F)(F)CN1CCC(S(=O)(=O)c2ccc(CNC(=O)c3cc4ccncc4o3)nc2)CC1
InChIInChI=1S/C22H24F2N4O4S/c1-22(23,24)14-28-8-5-17(6-9-28)33(30,31)18-3-2-16(26-12-18)11-27-21(29)19-10-15-4-7-25-13-20(15)32-19/h2-4,7,10,12-13,17H,5-6,8-9,11,14H2,1H3,(H,27,29)
InChIKeyQGYGXMHMBGWRFS-UHFFFAOYSA-N
XLogP3.05
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.52
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[1-(2,2-difluoropropyl)piperidin-4-yl]sulfonyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[[5-[1-(2,2-difluoropropyl)piperidin-4-yl]sulfonyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide (CID 118193605) is N-[[5-[1-(2,2-difluoropropyl)piperidin-4-yl]sulfonyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[5-[1-(2,2-difluoropropyl)piperidin-4-yl]sulfonyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[5-[1-(2,2-difluoropropyl)piperidin-4-yl]sulfonyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide is CC(F)(F)CN1CCC(S(=O)(=O)c2ccc(CNC(=O)c3cc4ccncc4o3)nc2)CC1.
What is the InChIKey of N-[[5-[1-(2,2-difluoropropyl)piperidin-4-yl]sulfonyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is QGYGXMHMBGWRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N4O4S/c1-22(23,24)14-28-8-5-17(6-9-28)33(30,31)18-3-2-16(26-12-18)11-27-21(29)19-10-15-4-7-25-13-20(15)32-19/h2-4,7,10,12-13,17H,5-6,8-9,11,14H2,1H3,(H,27,29).
What are the key properties of N-[[5-[1-(2,2-difluoropropyl)piperidin-4-yl]sulfonyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide?
N-[[5-[1-(2,2-difluoropropyl)piperidin-4-yl]sulfonyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 478.52 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[1-(2,2-difluoropropyl)piperidin-4-yl]sulfonyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 118193605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).