[(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[2-(5-fluoropyrimidin-2-yl)phenyl]methanone;[(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(3-methyl-2-pyrimidin-2-ylphenyl)methanone;[(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(3-pyrimidin-2-yl-2-pyridinyl)methanone

C69H60Cl3F10N13O6 — CID 158022996

IUPAC[(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[2-(5-fluoropyrimidin-2-yl)phenyl]methanone;[(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(3-methyl-2-pyrimidin-2-ylphenyl)methanone;[(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(3-pyrimidin-2-yl-2-pyridinyl)methanone
SMILESC[C@H]1[C@H](Oc2ncc(C(F)(F)F)cc2Cl)CCCN1C(=O)c1ccccc1-c1ncc(F)cn1.C[C@H]1[C@H](Oc2ncc(C(F)(F)F)cc2Cl)CCCN1C(=O)c1ncccc1-c1ncccn1.Cc1cccc(C(=O)N2CCC[C@@H](Oc3ncc(C(F)(F)F)cc3Cl)[C@@H]2C)c1-c1ncccn1
InChIInChI=1S/C24H22ClF3N4O2.C23H19ClF4N4O2.C22H19ClF3N5O2/c1-14-6-3-7-17(20(14)21-29-9-5-10-30-21)23(33)32-11-4-8-19(15(32)2)34-22-18(25)12-16(13-31-22)24(26,27)28;1-13-19(34-21-18(24)9-14(10-31-21)23(26,27)28)7-4-8-32(13)22(33)17-6-3-2-5-16(17)20-29-11-15(25)12-30-20;1-13-17(33-20-16(23)11-14(12-30-20)22(24,25)26)6-3-10-31(13)21(32)18-15(5-2-7-27-18)19-28-8-4-9-29-19/h3,5-7,9-10,12-13,15,19H,4,8,11H2,1-2H3;2-3,5-6,9-13,19H,4,7-8H2,1H3;2,4-5,7-9,11-13,17H,3,6,10H2,1H3/t15-,19+;13-,19+;13-,17+/m000/s1
InChIKeyFGGVDBFXRYTJCG-QOECEZHFSA-N
MW1463.66 g/mol
LogP15.69
Rot. Bonds12

About [(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[2-(5-fluoropyrimidin-2-yl)phenyl]methanone;[(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(3-methyl-2-pyrimidin-2-ylphenyl)methanone;[(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(3-pyrimidin-2-yl-2-pyridinyl)methanone

[(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[2-(5-fluoropyrimidin-2-yl)phenyl]methanone;[(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(3-methyl-2-pyrimidin-2-ylphenyl)methanone;[(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(3-pyrimidin-2-yl-2-pyridinyl)methanone (PubChem CID 158022996) has the molecular formula C69H60Cl3F10N13O6 and a molecular weight of 1463.66 g/mol. Its IUPAC name is [(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[2-(5-fluoropyrimidin-2-yl)phenyl]methanone;[(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(3-methyl-2-pyrimidin-2-ylphenyl)methanone;[(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(3-pyrimidin-2-yl-2-pyridinyl)methanone.

Molecular Properties

Compound Name[(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[2-(5-fluoropyrimidin-2-yl)phenyl]methanone;[(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(3-methyl-2-pyrimidin-2-ylphenyl)methanone;[(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(3-pyrimidin-2-yl-2-pyridinyl)methanone
PubChem CID158022996
Molecular FormulaC69H60Cl3F10N13O6
Molecular Weight1463.66 g/mol
Exact Mass1461.37
IUPAC Name[(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[2-(5-fluoropyrimidin-2-yl)phenyl]methanone;[(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(3-methyl-2-pyrimidin-2-ylphenyl)methanone;[(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(3-pyrimidin-2-yl-2-pyridinyl)methanone
SMILESC[C@H]1[C@H](Oc2ncc(C(F)(F)F)cc2Cl)CCCN1C(=O)c1ccccc1-c1ncc(F)cn1.C[C@H]1[C@H](Oc2ncc(C(F)(F)F)cc2Cl)CCCN1C(=O)c1ncccc1-c1ncccn1.Cc1cccc(C(=O)N2CCC[C@@H](Oc3ncc(C(F)(F)F)cc3Cl)[C@@H]2C)c1-c1ncccn1
InChIInChI=1S/C24H22ClF3N4O2.C23H19ClF4N4O2.C22H19ClF3N5O2/c1-14-6-3-7-17(20(14)21-29-9-5-10-30-21)23(33)32-11-4-8-19(15(32)2)34-22-18(25)12-16(13-31-22)24(26,27)28;1-13-19(34-21-18(24)9-14(10-31-21)23(26,27)28)7-4-8-32(13)22(33)17-6-3-2-5-16(17)20-29-11-15(25)12-30-20;1-13-17(33-20-16(23)11-14(12-30-20)22(24,25)26)6-3-10-31(13)21(32)18-15(5-2-7-27-18)19-28-8-4-9-29-19/h3,5-7,9-10,12-13,15,19H,4,8,11H2,1-2H3;2-3,5-6,9-13,19H,4,7-8H2,1H3;2,4-5,7-9,11-13,17H,3,6,10H2,1H3/t15-,19+;13-,19+;13-,17+/m000/s1
InChIKeyFGGVDBFXRYTJCG-QOECEZHFSA-N
XLogP15.69
TPSA217.52 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms101
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001463.66
LogP ≤ 515.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze [(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[2-(5-fluoropyrimidin-2-yl)phenyl]methanone;[(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(3-methyl-2-pyrimidin-2-ylphenyl)methanone;[(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(3-pyrimidin-2-yl-2-pyridinyl)methanone with MolForge

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Related Compounds

((2S,3R)-3-((3-fluoro-5-(trifluoromethyl)pyridin-2-yl)oxy)-2-methylpiperidin-1-yl)(3-methyl-2-(pyrimidin-2-yl)phenyl)methanone
CID 117631024
((2S,3R)-2-methyl-3-((5-(trifluoromethyl)pyridin-2-yl)oxy)piperidin-1-yl)(6-methyl-3-(pyrimidin-2-yl)pyridin-2-yl)methanone
CID 117631244
((2S,3R)-3-((3-fluoro-5-(trifluoromethyl)pyridin-2-yl)oxy)-2-methylpiperidin-1-yl)(6-methyl-3-(pyrimidin-2-yl)pyridin-2-yl)methanone
CID 117636014
US9611277, Example 283
CID 117637576
US9611277, Example 281
CID 117637883
US9611277, Example 271
CID 117637892
US9611262, Example 158
CID 118940701
US9611262, Example 74
CID 126762404
((2S,3R)-3-((5-chloropyridin-2-yl)oxy)-2-methylpiperidin-1-yl)(5-methyl-3-(pyrimidin-2-yl)pyridin-2-yl)methanone
CID 117630124
((2S,3R)-3-((5-chloropyridin-2-yl)oxy)-2-methylpiperidin-1-yl)(3-(pyrimidin-2-yl)pyridin-2-yl)methanone
CID 117631021
US11660293, Example 118
CID 137535552
[(1R,4S,6R)-4-[(5-chloro-3-fluoro-2-pyridinyl)oxymethyl]-3-azabicyclo[4.1.0]heptan-3-yl]-(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone
CID 49800249

Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[2-(5-fluoropyrimidin-2-yl)phenyl]methanone;[(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(3-methyl-2-pyrimidin-2-ylphenyl)methanone;[(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(3-pyrimidin-2-yl-2-pyridinyl)methanone?
The IUPAC name of [(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[2-(5-fluoropyrimidin-2-yl)phenyl]methanone;[(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(3-methyl-2-pyrimidin-2-ylphenyl)methanone;[(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(3-pyrimidin-2-yl-2-pyridinyl)methanone (CID 158022996) is [(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[2-(5-fluoropyrimidin-2-yl)phenyl]methanone;[(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(3-methyl-2-pyrimidin-2-ylphenyl)methanone;[(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(3-pyrimidin-2-yl-2-pyridinyl)methanone.
What is the SMILES notation for [(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[2-(5-fluoropyrimidin-2-yl)phenyl]methanone;[(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(3-methyl-2-pyrimidin-2-ylphenyl)methanone;[(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(3-pyrimidin-2-yl-2-pyridinyl)methanone?
The canonical SMILES for [(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[2-(5-fluoropyrimidin-2-yl)phenyl]methanone;[(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(3-methyl-2-pyrimidin-2-ylphenyl)methanone;[(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(3-pyrimidin-2-yl-2-pyridinyl)methanone is C[C@H]1[C@H](Oc2ncc(C(F)(F)F)cc2Cl)CCCN1C(=O)c1ccccc1-c1ncc(F)cn1.C[C@H]1[C@H](Oc2ncc(C(F)(F)F)cc2Cl)CCCN1C(=O)c1ncccc1-c1ncccn1.Cc1cccc(C(=O)N2CCC[C@@H](Oc3ncc(C(F)(F)F)cc3Cl)[C@@H]2C)c1-c1ncccn1.
What is the InChIKey of [(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[2-(5-fluoropyrimidin-2-yl)phenyl]methanone;[(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(3-methyl-2-pyrimidin-2-ylphenyl)methanone;[(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(3-pyrimidin-2-yl-2-pyridinyl)methanone?
The InChIKey is FGGVDBFXRYTJCG-QOECEZHFSA-N. The full InChI is InChI=1S/C24H22ClF3N4O2.C23H19ClF4N4O2.C22H19ClF3N5O2/c1-14-6-3-7-17(20(14)21-29-9-5-10-30-21)23(33)32-11-4-8-19(15(32)2)34-22-18(25)12-16(13-31-22)24(26,27)28;1-13-19(34-21-18(24)9-14(10-31-21)23(26,27)28)7-4-8-32(13)22(33)17-6-3-2-5-16(17)20-29-11-15(25)12-30-20;1-13-17(33-20-16(23)11-14(12-30-20)22(24,25)26)6-3-10-31(13)21(32)18-15(5-2-7-27-18)19-28-8-4-9-29-19/h3,5-7,9-10,12-13,15,19H,4,8,11H2,1-2H3;2-3,5-6,9-13,19H,4,7-8H2,1H3;2,4-5,7-9,11-13,17H,3,6,10H2,1H3/t15-,19+;13-,19+;13-,17+/m000/s1.
What are the key properties of [(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[2-(5-fluoropyrimidin-2-yl)phenyl]methanone;[(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(3-methyl-2-pyrimidin-2-ylphenyl)methanone;[(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(3-pyrimidin-2-yl-2-pyridinyl)methanone?
[(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[2-(5-fluoropyrimidin-2-yl)phenyl]methanone;[(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(3-methyl-2-pyrimidin-2-ylphenyl)methanone;[(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(3-pyrimidin-2-yl-2-pyridinyl)methanone has a molecular weight of 1463.66 g/mol, XLogP of 15.69, 12 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[2-(5-fluoropyrimidin-2-yl)phenyl]methanone;[(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(3-methyl-2-pyrimidin-2-ylphenyl)methanone;[(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(3-pyrimidin-2-yl-2-pyridinyl)methanone is sourced from PubChem (CID 158022996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).