N-[3-[6-[(1R)-1-cyanoethoxy]-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[6-[(1S)-1-cyanoethoxy]-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[1-(2-methylsulfonylethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;1-(2-methylsulfonylethyl)-5-[2-methyl-5-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]-3-morpholin-4-ylpyridin-2-one

C108H106F12N14O16S2 — CID 161396902

IUPACN-[3-[6-[(1R)-1-cyanoethoxy]-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[6-[(1S)-1-cyanoethoxy]-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[1-(2-methylsulfonylethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;1-(2-methylsulfonylethyl)-5-[2-methyl-5-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]-3-morpholin-4-ylpyridin-2-one
SMILESCc1ccc(C(=O)Cc2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)c(=O)n(CCS(C)(=O)=O)c1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(O[C@@H](C)C#N)c(N2CCOCC2)c1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(O[C@H](C)C#N)c(N2CCOCC2)c1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)c(=O)n(CCS(C)(=O)=O)c1
InChIInChI=1S/C28H29F3N2O5S.2C27H25F3N4O3.C26H27F3N4O5S/c1-19-6-7-21(26(34)15-20-4-3-5-23(14-20)28(29,30)31)16-24(19)22-17-25(32-8-11-38-12-9-32)27(35)33(18-22)10-13-39(2,36)37;2*1-17-6-7-22(33-25(35)19-4-3-5-21(12-19)27(28,29)30)14-23(17)20-13-24(34-8-10-36-11-9-34)26(32-16-20)37-18(2)15-31;1-17-22(14-21(15-30-17)31-24(34)18-4-3-5-20(12-18)26(27,28)29)19-13-23(32-6-9-38-10-7-32)25(35)33(16-19)8-11-39(2,36)37/h3-7,14,16-18H,8-13,15H2,1-2H3;2*3-7,12-14,16,18H,8-11H2,1-2H3,(H,33,35);3-5,12-16H,6-11H2,1-2H3,(H,31,34)/t;2*18-;/m.10./s1
InChIKeyVTSIIBDEXFKURU-UYQUUODHSA-N
MW2148.23 g/mol
LogP18.43
Rot. Bonds27

About N-[3-[6-[(1R)-1-cyanoethoxy]-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[6-[(1S)-1-cyanoethoxy]-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[1-(2-methylsulfonylethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;1-(2-methylsulfonylethyl)-5-[2-methyl-5-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]-3-morpholin-4-ylpyridin-2-one

N-[3-[6-[(1R)-1-cyanoethoxy]-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[6-[(1S)-1-cyanoethoxy]-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[1-(2-methylsulfonylethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;1-(2-methylsulfonylethyl)-5-[2-methyl-5-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]-3-morpholin-4-ylpyridin-2-one (PubChem CID 161396902) has the molecular formula C108H106F12N14O16S2 and a molecular weight of 2148.23 g/mol. Its IUPAC name is N-[3-[6-[(1R)-1-cyanoethoxy]-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[6-[(1S)-1-cyanoethoxy]-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[1-(2-methylsulfonylethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;1-(2-methylsulfonylethyl)-5-[2-methyl-5-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]-3-morpholin-4-ylpyridin-2-one.

Molecular Properties

Compound NameN-[3-[6-[(1R)-1-cyanoethoxy]-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[6-[(1S)-1-cyanoethoxy]-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[1-(2-methylsulfonylethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;1-(2-methylsulfonylethyl)-5-[2-methyl-5-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]-3-morpholin-4-ylpyridin-2-one
PubChem CID161396902
Molecular FormulaC108H106F12N14O16S2
Molecular Weight2148.23 g/mol
Exact Mass2146.72
IUPAC NameN-[3-[6-[(1R)-1-cyanoethoxy]-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[6-[(1S)-1-cyanoethoxy]-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[1-(2-methylsulfonylethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;1-(2-methylsulfonylethyl)-5-[2-methyl-5-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]-3-morpholin-4-ylpyridin-2-one
SMILESCc1ccc(C(=O)Cc2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)c(=O)n(CCS(C)(=O)=O)c1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(O[C@@H](C)C#N)c(N2CCOCC2)c1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(O[C@H](C)C#N)c(N2CCOCC2)c1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)c(=O)n(CCS(C)(=O)=O)c1
InChIInChI=1S/C28H29F3N2O5S.2C27H25F3N4O3.C26H27F3N4O5S/c1-19-6-7-21(26(34)15-20-4-3-5-23(14-20)28(29,30)31)16-24(19)22-17-25(32-8-11-38-12-9-32)27(35)33(18-22)10-13-39(2,36)37;2*1-17-6-7-22(33-25(35)19-4-3-5-21(12-19)27(28,29)30)14-23(17)20-13-24(34-8-10-36-11-9-34)26(32-16-20)37-18(2)15-31;1-17-22(14-21(15-30-17)31-24(34)18-4-3-5-20(12-18)26(27,28)29)19-13-23(32-6-9-38-10-7-32)25(35)33(16-19)8-11-39(2,36)37/h3-7,14,16-18H,8-13,15H2,1-2H3;2*3-7,12-14,16,18H,8-11H2,1-2H3,(H,33,35);3-5,12-16H,6-11H2,1-2H3,(H,31,34)/t;2*18-;/m.10./s1
InChIKeyVTSIIBDEXFKURU-UYQUUODHSA-N
XLogP18.43
TPSA371.24 Ų
H-Bond Donors3
H-Bond Acceptors27
Rotatable Bonds27
Heavy Atoms152
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002148.23
LogP ≤ 518.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1027

Analyze N-[3-[6-[(1R)-1-cyanoethoxy]-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[6-[(1S)-1-cyanoethoxy]-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[1-(2-methylsulfonylethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;1-(2-methylsulfonylethyl)-5-[2-methyl-5-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]-3-morpholin-4-ylpyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[6-[(1R)-1-cyanoethoxy]-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[6-[(1S)-1-cyanoethoxy]-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[1-(2-methylsulfonylethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;1-(2-methylsulfonylethyl)-5-[2-methyl-5-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]-3-morpholin-4-ylpyridin-2-one?
The IUPAC name of N-[3-[6-[(1R)-1-cyanoethoxy]-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[6-[(1S)-1-cyanoethoxy]-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[1-(2-methylsulfonylethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;1-(2-methylsulfonylethyl)-5-[2-methyl-5-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]-3-morpholin-4-ylpyridin-2-one (CID 161396902) is N-[3-[6-[(1R)-1-cyanoethoxy]-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[6-[(1S)-1-cyanoethoxy]-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[1-(2-methylsulfonylethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;1-(2-methylsulfonylethyl)-5-[2-methyl-5-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]-3-morpholin-4-ylpyridin-2-one.
What is the SMILES notation for N-[3-[6-[(1R)-1-cyanoethoxy]-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[6-[(1S)-1-cyanoethoxy]-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[1-(2-methylsulfonylethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;1-(2-methylsulfonylethyl)-5-[2-methyl-5-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]-3-morpholin-4-ylpyridin-2-one?
The canonical SMILES for N-[3-[6-[(1R)-1-cyanoethoxy]-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[6-[(1S)-1-cyanoethoxy]-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[1-(2-methylsulfonylethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;1-(2-methylsulfonylethyl)-5-[2-methyl-5-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]-3-morpholin-4-ylpyridin-2-one is Cc1ccc(C(=O)Cc2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)c(=O)n(CCS(C)(=O)=O)c1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(O[C@@H](C)C#N)c(N2CCOCC2)c1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(O[C@H](C)C#N)c(N2CCOCC2)c1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)c(=O)n(CCS(C)(=O)=O)c1.
What is the InChIKey of N-[3-[6-[(1R)-1-cyanoethoxy]-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[6-[(1S)-1-cyanoethoxy]-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[1-(2-methylsulfonylethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;1-(2-methylsulfonylethyl)-5-[2-methyl-5-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]-3-morpholin-4-ylpyridin-2-one?
The InChIKey is VTSIIBDEXFKURU-UYQUUODHSA-N. The full InChI is InChI=1S/C28H29F3N2O5S.2C27H25F3N4O3.C26H27F3N4O5S/c1-19-6-7-21(26(34)15-20-4-3-5-23(14-20)28(29,30)31)16-24(19)22-17-25(32-8-11-38-12-9-32)27(35)33(18-22)10-13-39(2,36)37;2*1-17-6-7-22(33-25(35)19-4-3-5-21(12-19)27(28,29)30)14-23(17)20-13-24(34-8-10-36-11-9-34)26(32-16-20)37-18(2)15-31;1-17-22(14-21(15-30-17)31-24(34)18-4-3-5-20(12-18)26(27,28)29)19-13-23(32-6-9-38-10-7-32)25(35)33(16-19)8-11-39(2,36)37/h3-7,14,16-18H,8-13,15H2,1-2H3;2*3-7,12-14,16,18H,8-11H2,1-2H3,(H,33,35);3-5,12-16H,6-11H2,1-2H3,(H,31,34)/t;2*18-;/m.10./s1.
What are the key properties of N-[3-[6-[(1R)-1-cyanoethoxy]-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[6-[(1S)-1-cyanoethoxy]-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[1-(2-methylsulfonylethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;1-(2-methylsulfonylethyl)-5-[2-methyl-5-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]-3-morpholin-4-ylpyridin-2-one?
N-[3-[6-[(1R)-1-cyanoethoxy]-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[6-[(1S)-1-cyanoethoxy]-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[1-(2-methylsulfonylethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;1-(2-methylsulfonylethyl)-5-[2-methyl-5-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]-3-morpholin-4-ylpyridin-2-one has a molecular weight of 2148.23 g/mol, XLogP of 18.43, 27 rotatable bonds, 3 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-[(1R)-1-cyanoethoxy]-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[6-[(1S)-1-cyanoethoxy]-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[1-(2-methylsulfonylethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;1-(2-methylsulfonylethyl)-5-[2-methyl-5-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]-3-morpholin-4-ylpyridin-2-one is sourced from PubChem (CID 161396902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).