2-(6-azaspiro[2.5]octan-6-yl)-N-[5-(fluoromethoxy)-6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]-4-[[(2S)-1-hydroxypropan-2-yl]sulfonylamino]benzamide

C28H38FN5O6S — CID 170178614

IUPAC2-(6-azaspiro[2.5]octan-6-yl)-N-[5-(fluoromethoxy)-6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]-4-[[(2S)-1-hydroxypropan-2-yl]sulfonylamino]benzamide
SMILESC[C@@H]1CN(c2nc(NC(=O)c3ccc(NS(=O)(=O)[C@@H](C)CO)cc3N3CCC4(CC3)CC4)ccc2OCF)CCO1
InChIInChI=1S/C28H38FN5O6S/c1-19-16-34(13-14-39-19)26-24(40-18-29)5-6-25(30-26)31-27(36)22-4-3-21(32-41(37,38)20(2)17-35)15-23(22)33-11-9-28(7-8-28)10-12-33/h3-6,15,19-20,32,35H,7-14,16-18H2,1-2H3,(H,30,31,36)/t19-,20+/m1/s1
InChIKeyUUWNPCYAJUSEOL-UXHICEINSA-N
MW591.71 g/mol
LogP3.37
Rot. Bonds10

About 2-(6-azaspiro[2.5]octan-6-yl)-N-[5-(fluoromethoxy)-6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]-4-[[(2S)-1-hydroxypropan-2-yl]sulfonylamino]benzamide

2-(6-azaspiro[2.5]octan-6-yl)-N-[5-(fluoromethoxy)-6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]-4-[[(2S)-1-hydroxypropan-2-yl]sulfonylamino]benzamide (PubChem CID 170178614) has the molecular formula C28H38FN5O6S and a molecular weight of 591.71 g/mol. Its IUPAC name is 2-(6-azaspiro[2.5]octan-6-yl)-N-[5-(fluoromethoxy)-6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]-4-[[(2S)-1-hydroxypropan-2-yl]sulfonylamino]benzamide.

Molecular Properties

Compound Name2-(6-azaspiro[2.5]octan-6-yl)-N-[5-(fluoromethoxy)-6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]-4-[[(2S)-1-hydroxypropan-2-yl]sulfonylamino]benzamide
PubChem CID170178614
Molecular FormulaC28H38FN5O6S
Molecular Weight591.71 g/mol
Exact Mass591.25
IUPAC Name2-(6-azaspiro[2.5]octan-6-yl)-N-[5-(fluoromethoxy)-6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]-4-[[(2S)-1-hydroxypropan-2-yl]sulfonylamino]benzamide
SMILESC[C@@H]1CN(c2nc(NC(=O)c3ccc(NS(=O)(=O)[C@@H](C)CO)cc3N3CCC4(CC3)CC4)ccc2OCF)CCO1
InChIInChI=1S/C28H38FN5O6S/c1-19-16-34(13-14-39-19)26-24(40-18-29)5-6-25(30-26)31-27(36)22-4-3-21(32-41(37,38)20(2)17-35)15-23(22)33-11-9-28(7-8-28)10-12-33/h3-6,15,19-20,32,35H,7-14,16-18H2,1-2H3,(H,30,31,36)/t19-,20+/m1/s1
InChIKeyUUWNPCYAJUSEOL-UXHICEINSA-N
XLogP3.37
TPSA133.33 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500591.71
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-(6-azaspiro[2.5]octan-6-yl)-N-[5-(fluoromethoxy)-6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]-4-[[(2S)-1-hydroxypropan-2-yl]sulfonylamino]benzamide with MolForge

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Launch Full Analysis

Related Compounds

2-(6-azaspiro[2.5]octan-6-yl)-4-[[(2R)-1-hydroxypropan-2-yl]sulfonylamino]-N-[6-(3,3,3-trifluoropropoxy)pyridin-2-yl]benzamide
CID 151837327
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)-4-[[(2S)-1-hydroxypropan-2-yl]sulfonylamino]-N-[6-(3,3,3-trifluoropropoxy)pyridin-2-yl]benzamide
CID 153625058
US11236069, Example 6-40
CID 148352979
US11236069, Example 6-37
CID 148544837
US11236069, Example 6-36
CID 148886282
US11236069, Example 11-66
CID 148907571
2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(difluoromethoxy)pyridin-2-yl]-4-(2-hydroxyethylsulfonylamino)benzamide
CID 151821729
2-(6-azaspiro[2.5]octan-6-yl)-N-[4-cyclopropyl-6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]-4-(2-hydroxyethylsulfonylamino)benzamide
CID 152245465
2-(6-azaspiro[2.5]octan-6-yl)-N-[5-fluoro-6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]-4-(2-hydroxyethylsulfonylamino)benzamide
CID 153624962
2-(6-azaspiro[2.5]octan-6-yl)-4-[[(2R)-1-hydroxypropan-2-yl]sulfonylamino]-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]benzamide
CID 153624975
2-(6-azaspiro[2.5]octan-6-yl)-4-[(2-hydroxy-2-methylpropyl)sulfonylamino]-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]benzamide
CID 153624981

Frequently Asked Questions

What is the IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-N-[5-(fluoromethoxy)-6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]-4-[[(2S)-1-hydroxypropan-2-yl]sulfonylamino]benzamide?
The IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-N-[5-(fluoromethoxy)-6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]-4-[[(2S)-1-hydroxypropan-2-yl]sulfonylamino]benzamide (CID 170178614) is 2-(6-azaspiro[2.5]octan-6-yl)-N-[5-(fluoromethoxy)-6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]-4-[[(2S)-1-hydroxypropan-2-yl]sulfonylamino]benzamide.
What is the SMILES notation for 2-(6-azaspiro[2.5]octan-6-yl)-N-[5-(fluoromethoxy)-6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]-4-[[(2S)-1-hydroxypropan-2-yl]sulfonylamino]benzamide?
The canonical SMILES for 2-(6-azaspiro[2.5]octan-6-yl)-N-[5-(fluoromethoxy)-6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]-4-[[(2S)-1-hydroxypropan-2-yl]sulfonylamino]benzamide is C[C@@H]1CN(c2nc(NC(=O)c3ccc(NS(=O)(=O)[C@@H](C)CO)cc3N3CCC4(CC3)CC4)ccc2OCF)CCO1.
What is the InChIKey of 2-(6-azaspiro[2.5]octan-6-yl)-N-[5-(fluoromethoxy)-6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]-4-[[(2S)-1-hydroxypropan-2-yl]sulfonylamino]benzamide?
The InChIKey is UUWNPCYAJUSEOL-UXHICEINSA-N. The full InChI is InChI=1S/C28H38FN5O6S/c1-19-16-34(13-14-39-19)26-24(40-18-29)5-6-25(30-26)31-27(36)22-4-3-21(32-41(37,38)20(2)17-35)15-23(22)33-11-9-28(7-8-28)10-12-33/h3-6,15,19-20,32,35H,7-14,16-18H2,1-2H3,(H,30,31,36)/t19-,20+/m1/s1.
What are the key properties of 2-(6-azaspiro[2.5]octan-6-yl)-N-[5-(fluoromethoxy)-6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]-4-[[(2S)-1-hydroxypropan-2-yl]sulfonylamino]benzamide?
2-(6-azaspiro[2.5]octan-6-yl)-N-[5-(fluoromethoxy)-6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]-4-[[(2S)-1-hydroxypropan-2-yl]sulfonylamino]benzamide has a molecular weight of 591.71 g/mol, XLogP of 3.37, 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-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]-4-[[(2S)-1-hydroxypropan-2-yl]sulfonylamino]benzamide is sourced from PubChem (CID 170178614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).