N-[[6-[2-[4-(trifluoromethylsulfonyl)phenyl]acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide

C25H24F3N3O5S — CID 90012246

IUPACN-[[6-[2-[4-(trifluoromethylsulfonyl)phenyl]acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCC1CC12CCN(C(=O)Cc1ccc(S(=O)(=O)C(F)(F)F)cc1)CC2)c1cc2ccncc2o1
InChIInChI=1S/C25H24F3N3O5S/c26-25(27,28)37(34,35)19-3-1-16(2-4-19)11-22(32)31-9-6-24(7-10-31)13-18(24)14-30-23(33)20-12-17-5-8-29-15-21(17)36-20/h1-5,8,12,15,18H,6-7,9-11,13-14H2,(H,30,33)
InChIKeyASTWECUPHNCSME-UHFFFAOYSA-N
MW535.54 g/mol
LogP3.72
Rot. Bonds6

About N-[[6-[2-[4-(trifluoromethylsulfonyl)phenyl]acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide

N-[[6-[2-[4-(trifluoromethylsulfonyl)phenyl]acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (PubChem CID 90012246) has the molecular formula C25H24F3N3O5S and a molecular weight of 535.54 g/mol. Its IUPAC name is N-[[6-[2-[4-(trifluoromethylsulfonyl)phenyl]acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[6-[2-[4-(trifluoromethylsulfonyl)phenyl]acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
PubChem CID90012246
Molecular FormulaC25H24F3N3O5S
Molecular Weight535.54 g/mol
Exact Mass535.14
IUPAC NameN-[[6-[2-[4-(trifluoromethylsulfonyl)phenyl]acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCC1CC12CCN(C(=O)Cc1ccc(S(=O)(=O)C(F)(F)F)cc1)CC2)c1cc2ccncc2o1
InChIInChI=1S/C25H24F3N3O5S/c26-25(27,28)37(34,35)19-3-1-16(2-4-19)11-22(32)31-9-6-24(7-10-31)13-18(24)14-30-23(33)20-12-17-5-8-29-15-21(17)36-20/h1-5,8,12,15,18H,6-7,9-11,13-14H2,(H,30,33)
InChIKeyASTWECUPHNCSME-UHFFFAOYSA-N
XLogP3.72
TPSA109.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.54
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[6-[2-[4-(trifluoromethylsulfonyl)phenyl]acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[[6-[2-[4-(trifluoromethylsulfonyl)phenyl]acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (CID 90012246) is N-[[6-[2-[4-(trifluoromethylsulfonyl)phenyl]acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[6-[2-[4-(trifluoromethylsulfonyl)phenyl]acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[6-[2-[4-(trifluoromethylsulfonyl)phenyl]acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is O=C(NCC1CC12CCN(C(=O)Cc1ccc(S(=O)(=O)C(F)(F)F)cc1)CC2)c1cc2ccncc2o1.
What is the InChIKey of N-[[6-[2-[4-(trifluoromethylsulfonyl)phenyl]acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is ASTWECUPHNCSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N3O5S/c26-25(27,28)37(34,35)19-3-1-16(2-4-19)11-22(32)31-9-6-24(7-10-31)13-18(24)14-30-23(33)20-12-17-5-8-29-15-21(17)36-20/h1-5,8,12,15,18H,6-7,9-11,13-14H2,(H,30,33).
What are the key properties of N-[[6-[2-[4-(trifluoromethylsulfonyl)phenyl]acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
N-[[6-[2-[4-(trifluoromethylsulfonyl)phenyl]acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 535.54 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[2-[4-(trifluoromethylsulfonyl)phenyl]acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 90012246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).