2-(6-azaspiro[2.5]octan-6-yl)-N-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-4-(2-hydroxyethylsulfonylamino)benzamide

C26H33F2N5O4S — CID 146989694

IUPAC2-(6-azaspiro[2.5]octan-6-yl)-N-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-4-(2-hydroxyethylsulfonylamino)benzamide
SMILESO=C(Nc1ccnc(N2CCC(F)(F)CC2)c1)c1ccc(NS(=O)(=O)CCO)cc1N1CCC2(CC1)CC2
InChIInChI=1S/C26H33F2N5O4S/c27-26(28)8-13-33(14-9-26)23-18-19(3-10-29-23)30-24(35)21-2-1-20(31-38(36,37)16-15-34)17-22(21)32-11-6-25(4-5-25)7-12-32/h1-3,10,17-18,31,34H,4-9,11-16H2,(H,29,30,35)
InChIKeyAPYGLDGMCNWDQE-UHFFFAOYSA-N
MW549.64 g/mol
LogP3.68
Rot. Bonds8

About 2-(6-azaspiro[2.5]octan-6-yl)-N-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-4-(2-hydroxyethylsulfonylamino)benzamide

2-(6-azaspiro[2.5]octan-6-yl)-N-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-4-(2-hydroxyethylsulfonylamino)benzamide (PubChem CID 146989694) has the molecular formula C26H33F2N5O4S and a molecular weight of 549.64 g/mol. Its IUPAC name is 2-(6-azaspiro[2.5]octan-6-yl)-N-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-4-(2-hydroxyethylsulfonylamino)benzamide.

Molecular Properties

Compound Name2-(6-azaspiro[2.5]octan-6-yl)-N-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-4-(2-hydroxyethylsulfonylamino)benzamide
PubChem CID146989694
Molecular FormulaC26H33F2N5O4S
Molecular Weight549.64 g/mol
Exact Mass549.22
IUPAC Name2-(6-azaspiro[2.5]octan-6-yl)-N-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-4-(2-hydroxyethylsulfonylamino)benzamide
SMILESO=C(Nc1ccnc(N2CCC(F)(F)CC2)c1)c1ccc(NS(=O)(=O)CCO)cc1N1CCC2(CC1)CC2
InChIInChI=1S/C26H33F2N5O4S/c27-26(28)8-13-33(14-9-26)23-18-19(3-10-29-23)30-24(35)21-2-1-20(31-38(36,37)16-15-34)17-22(21)32-11-6-25(4-5-25)7-12-32/h1-3,10,17-18,31,34H,4-9,11-16H2,(H,29,30,35)
InChIKeyAPYGLDGMCNWDQE-UHFFFAOYSA-N
XLogP3.68
TPSA114.87 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500549.64
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-(6-azaspiro[2.5]octan-6-yl)-N-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-4-(2-hydroxyethylsulfonylamino)benzamide with MolForge

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Related Compounds

Amg-650
CID 148163435
2-(6-azaspiro[2.5]octan-6-yl)-N-(2-cyclobutyloxy-6-methylpyrimidin-4-yl)-4-(2-hydroxyethylsulfonylamino)benzamide
CID 146779953
N-[2-(5-azaspiro[2.4]heptan-5-yl)-6-methylpyrimidin-4-yl]-2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)benzamide
CID 147312941
2-(6-azaspiro[2.5]octan-6-yl)-4-[[(2S)-1-hydroxypropan-2-yl]sulfonylamino]-N-[2-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]benzamide
CID 147880269
2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)-N-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]-6-methylpyrimidin-4-yl]benzamide
CID 147946566
2-(6-azaspiro[2.5]octan-6-yl)-N-[2-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-yl]-4-(2-hydroxyethylsulfonylamino)benzamide
CID 148960244
2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)-N-(5-methyl-6-morpholin-4-yl-2-pyridinyl)benzamide
CID 153624966
2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(3,3-difluoroazetidin-1-yl)-4-methyl-2-pyridinyl]-4-(methanesulfonamido)benzamide
CID 153625103
US10450297, Example 265
CID 57584764
US10450297, Example 247
CID 57584775
US10450297, Example 255
CID 57584777
US10450297, Example 239
CID 57584810

Frequently Asked Questions

What is the IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-N-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-4-(2-hydroxyethylsulfonylamino)benzamide?
The IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-N-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-4-(2-hydroxyethylsulfonylamino)benzamide (CID 146989694) is 2-(6-azaspiro[2.5]octan-6-yl)-N-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-4-(2-hydroxyethylsulfonylamino)benzamide.
What is the SMILES notation for 2-(6-azaspiro[2.5]octan-6-yl)-N-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-4-(2-hydroxyethylsulfonylamino)benzamide?
The canonical SMILES for 2-(6-azaspiro[2.5]octan-6-yl)-N-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-4-(2-hydroxyethylsulfonylamino)benzamide is O=C(Nc1ccnc(N2CCC(F)(F)CC2)c1)c1ccc(NS(=O)(=O)CCO)cc1N1CCC2(CC1)CC2.
What is the InChIKey of 2-(6-azaspiro[2.5]octan-6-yl)-N-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-4-(2-hydroxyethylsulfonylamino)benzamide?
The InChIKey is APYGLDGMCNWDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33F2N5O4S/c27-26(28)8-13-33(14-9-26)23-18-19(3-10-29-23)30-24(35)21-2-1-20(31-38(36,37)16-15-34)17-22(21)32-11-6-25(4-5-25)7-12-32/h1-3,10,17-18,31,34H,4-9,11-16H2,(H,29,30,35).
What are the key properties of 2-(6-azaspiro[2.5]octan-6-yl)-N-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-4-(2-hydroxyethylsulfonylamino)benzamide?
2-(6-azaspiro[2.5]octan-6-yl)-N-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-4-(2-hydroxyethylsulfonylamino)benzamide has a molecular weight of 549.64 g/mol, XLogP of 3.68, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-azaspiro[2.5]octan-6-yl)-N-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-4-(2-hydroxyethylsulfonylamino)benzamide is sourced from PubChem (CID 146989694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).