2-(6-azaspiro[2.5]octan-6-yl)-N-[5-(fluoromethoxy)-6-morpholin-4-yl-2-pyridinyl]-4-(2-hydroxyethylsulfonylamino)benzamide

C26H34FN5O6S — CID 170178611

IUPAC2-(6-azaspiro[2.5]octan-6-yl)-N-[5-(fluoromethoxy)-6-morpholin-4-yl-2-pyridinyl]-4-(2-hydroxyethylsulfonylamino)benzamide
SMILESO=C(Nc1ccc(OCF)c(N2CCOCC2)n1)c1ccc(NS(=O)(=O)CCO)cc1N1CCC2(CC1)CC2
InChIInChI=1S/C26H34FN5O6S/c27-18-38-22-3-4-23(28-24(22)32-11-14-37-15-12-32)29-25(34)20-2-1-19(30-39(35,36)16-13-33)17-21(20)31-9-7-26(5-6-26)8-10-31/h1-4,17,30,33H,5-16,18H2,(H,28,29,34)
InChIKeyAOQZAMYGMZUDGA-UHFFFAOYSA-N
MW563.65 g/mol
LogP2.59
Rot. Bonds10

About 2-(6-azaspiro[2.5]octan-6-yl)-N-[5-(fluoromethoxy)-6-morpholin-4-yl-2-pyridinyl]-4-(2-hydroxyethylsulfonylamino)benzamide

2-(6-azaspiro[2.5]octan-6-yl)-N-[5-(fluoromethoxy)-6-morpholin-4-yl-2-pyridinyl]-4-(2-hydroxyethylsulfonylamino)benzamide (PubChem CID 170178611) has the molecular formula C26H34FN5O6S and a molecular weight of 563.65 g/mol. Its IUPAC name is 2-(6-azaspiro[2.5]octan-6-yl)-N-[5-(fluoromethoxy)-6-morpholin-4-yl-2-pyridinyl]-4-(2-hydroxyethylsulfonylamino)benzamide.

Molecular Properties

Compound Name2-(6-azaspiro[2.5]octan-6-yl)-N-[5-(fluoromethoxy)-6-morpholin-4-yl-2-pyridinyl]-4-(2-hydroxyethylsulfonylamino)benzamide
PubChem CID170178611
Molecular FormulaC26H34FN5O6S
Molecular Weight563.65 g/mol
Exact Mass563.22
IUPAC Name2-(6-azaspiro[2.5]octan-6-yl)-N-[5-(fluoromethoxy)-6-morpholin-4-yl-2-pyridinyl]-4-(2-hydroxyethylsulfonylamino)benzamide
SMILESO=C(Nc1ccc(OCF)c(N2CCOCC2)n1)c1ccc(NS(=O)(=O)CCO)cc1N1CCC2(CC1)CC2
InChIInChI=1S/C26H34FN5O6S/c27-18-38-22-3-4-23(28-24(22)32-11-14-37-15-12-32)29-25(34)20-2-1-19(30-39(35,36)16-13-33)17-21(20)31-9-7-26(5-6-26)8-10-31/h1-4,17,30,33H,5-16,18H2,(H,28,29,34)
InChIKeyAOQZAMYGMZUDGA-UHFFFAOYSA-N
XLogP2.59
TPSA133.33 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500563.65
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-N-[5-(fluoromethoxy)-6-morpholin-4-yl-2-pyridinyl]-4-(2-hydroxyethylsulfonylamino)benzamide?
The IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-N-[5-(fluoromethoxy)-6-morpholin-4-yl-2-pyridinyl]-4-(2-hydroxyethylsulfonylamino)benzamide (CID 170178611) is 2-(6-azaspiro[2.5]octan-6-yl)-N-[5-(fluoromethoxy)-6-morpholin-4-yl-2-pyridinyl]-4-(2-hydroxyethylsulfonylamino)benzamide.
What is the SMILES notation for 2-(6-azaspiro[2.5]octan-6-yl)-N-[5-(fluoromethoxy)-6-morpholin-4-yl-2-pyridinyl]-4-(2-hydroxyethylsulfonylamino)benzamide?
The canonical SMILES for 2-(6-azaspiro[2.5]octan-6-yl)-N-[5-(fluoromethoxy)-6-morpholin-4-yl-2-pyridinyl]-4-(2-hydroxyethylsulfonylamino)benzamide is O=C(Nc1ccc(OCF)c(N2CCOCC2)n1)c1ccc(NS(=O)(=O)CCO)cc1N1CCC2(CC1)CC2.
What is the InChIKey of 2-(6-azaspiro[2.5]octan-6-yl)-N-[5-(fluoromethoxy)-6-morpholin-4-yl-2-pyridinyl]-4-(2-hydroxyethylsulfonylamino)benzamide?
The InChIKey is AOQZAMYGMZUDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34FN5O6S/c27-18-38-22-3-4-23(28-24(22)32-11-14-37-15-12-32)29-25(34)20-2-1-19(30-39(35,36)16-13-33)17-21(20)31-9-7-26(5-6-26)8-10-31/h1-4,17,30,33H,5-16,18H2,(H,28,29,34).
What are the key properties of 2-(6-azaspiro[2.5]octan-6-yl)-N-[5-(fluoromethoxy)-6-morpholin-4-yl-2-pyridinyl]-4-(2-hydroxyethylsulfonylamino)benzamide?
2-(6-azaspiro[2.5]octan-6-yl)-N-[5-(fluoromethoxy)-6-morpholin-4-yl-2-pyridinyl]-4-(2-hydroxyethylsulfonylamino)benzamide has a molecular weight of 563.65 g/mol, XLogP of 2.59, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-azaspiro[2.5]octan-6-yl)-N-[5-(fluoromethoxy)-6-morpholin-4-yl-2-pyridinyl]-4-(2-hydroxyethylsulfonylamino)benzamide is sourced from PubChem (CID 170178611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).