(2-ethoxyphenyl)-[(2R,3R)-2-methyl-3-[(4-phenylpyrimidin-2-yl)amino]piperidin-1-yl]methanone;[6-methyl-2-(triazol-1-yl)-3-pyridinyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone;[6-methyl-2-(triazol-2-yl)-3-pyridinyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone

C65H70F6N20O4 — CID 159429958

IUPAC(2-ethoxyphenyl)-[(2R,3R)-2-methyl-3-[(4-phenylpyrimidin-2-yl)amino]piperidin-1-yl]methanone;[6-methyl-2-(triazol-1-yl)-3-pyridinyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone;[6-methyl-2-(triazol-2-yl)-3-pyridinyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone
SMILESCCOc1ccccc1C(=O)N1CCC[C@@H](Nc2nccc(-c3ccccc3)n2)[C@H]1C.Cc1ccc(C(=O)N2CCC[C@@H](Nc3ncc(C(F)(F)F)cn3)[C@@H]2C)c(-n2ccnn2)n1.Cc1ccc(C(=O)N2CCC[C@@H](Nc3ncc(C(F)(F)F)cn3)[C@@H]2C)c(-n2nccn2)n1
InChIInChI=1S/C25H28N4O2.2C20H21F3N8O/c1-3-31-23-14-8-7-12-20(23)24(30)29-17-9-13-21(18(29)2)27-25-26-16-15-22(28-25)19-10-5-4-6-11-19;1-12-5-6-15(17(28-12)31-26-7-8-27-31)18(32)30-9-3-4-16(13(30)2)29-19-24-10-14(11-25-19)20(21,22)23;1-12-5-6-15(17(27-12)31-9-7-26-29-31)18(32)30-8-3-4-16(13(30)2)28-19-24-10-14(11-25-19)20(21,22)23/h4-8,10-12,14-16,18,21H,3,9,13,17H2,1-2H3,(H,26,27,28);5-8,10-11,13,16H,3-4,9H2,1-2H3,(H,24,25,29);5-7,9-11,13,16H,3-4,8H2,1-2H3,(H,24,25,28)/t18-,21-;2*13-,16+/m100/s1
InChIKeyLQVXYHVMCFQZOZ-YLASNRQBSA-N
MW1309.40 g/mol
LogP10.42
Rot. Bonds14

About (2-ethoxyphenyl)-[(2R,3R)-2-methyl-3-[(4-phenylpyrimidin-2-yl)amino]piperidin-1-yl]methanone;[6-methyl-2-(triazol-1-yl)-3-pyridinyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone;[6-methyl-2-(triazol-2-yl)-3-pyridinyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone

(2-ethoxyphenyl)-[(2R,3R)-2-methyl-3-[(4-phenylpyrimidin-2-yl)amino]piperidin-1-yl]methanone;[6-methyl-2-(triazol-1-yl)-3-pyridinyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone;[6-methyl-2-(triazol-2-yl)-3-pyridinyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone (PubChem CID 159429958) has the molecular formula C65H70F6N20O4 and a molecular weight of 1309.40 g/mol. Its IUPAC name is (2-ethoxyphenyl)-[(2R,3R)-2-methyl-3-[(4-phenylpyrimidin-2-yl)amino]piperidin-1-yl]methanone;[6-methyl-2-(triazol-1-yl)-3-pyridinyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone;[6-methyl-2-(triazol-2-yl)-3-pyridinyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethoxyphenyl)-[(2R,3R)-2-methyl-3-[(4-phenylpyrimidin-2-yl)amino]piperidin-1-yl]methanone;[6-methyl-2-(triazol-1-yl)-3-pyridinyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone;[6-methyl-2-(triazol-2-yl)-3-pyridinyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone
PubChem CID159429958
Molecular FormulaC65H70F6N20O4
Molecular Weight1309.40 g/mol
Exact Mass1308.58
IUPAC Name(2-ethoxyphenyl)-[(2R,3R)-2-methyl-3-[(4-phenylpyrimidin-2-yl)amino]piperidin-1-yl]methanone;[6-methyl-2-(triazol-1-yl)-3-pyridinyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone;[6-methyl-2-(triazol-2-yl)-3-pyridinyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone
SMILESCCOc1ccccc1C(=O)N1CCC[C@@H](Nc2nccc(-c3ccccc3)n2)[C@H]1C.Cc1ccc(C(=O)N2CCC[C@@H](Nc3ncc(C(F)(F)F)cn3)[C@@H]2C)c(-n2ccnn2)n1.Cc1ccc(C(=O)N2CCC[C@@H](Nc3ncc(C(F)(F)F)cn3)[C@@H]2C)c(-n2nccn2)n1
InChIInChI=1S/C25H28N4O2.2C20H21F3N8O/c1-3-31-23-14-8-7-12-20(23)24(30)29-17-9-13-21(18(29)2)27-25-26-16-15-22(28-25)19-10-5-4-6-11-19;1-12-5-6-15(17(28-12)31-26-7-8-27-31)18(32)30-9-3-4-16(13(30)2)29-19-24-10-14(11-25-19)20(21,22)23;1-12-5-6-15(17(27-12)31-9-7-26-29-31)18(32)30-8-3-4-16(13(30)2)28-19-24-10-14(11-25-19)20(21,22)23/h4-8,10-12,14-16,18,21H,3,9,13,17H2,1-2H3,(H,26,27,28);5-8,10-11,13,16H,3-4,9H2,1-2H3,(H,24,25,29);5-7,9-11,13,16H,3-4,8H2,1-2H3,(H,24,25,28)/t18-,21-;2*13-,16+/m100/s1
InChIKeyLQVXYHVMCFQZOZ-YLASNRQBSA-N
XLogP10.42
TPSA270.79 Ų
H-Bond Donors3
H-Bond Acceptors21
Rotatable Bonds14
Heavy Atoms95
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001309.40
LogP ≤ 510.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1021

Analyze (2-ethoxyphenyl)-[(2R,3R)-2-methyl-3-[(4-phenylpyrimidin-2-yl)amino]piperidin-1-yl]methanone;[6-methyl-2-(triazol-1-yl)-3-pyridinyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone;[6-methyl-2-(triazol-2-yl)-3-pyridinyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone with MolForge

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Related Compounds

1-(4-benzoylpiperazin-1-yl)-2-[4-[3-(2-methoxyphenyl)pyrazol-1-yl]-5H-pyrrolo[3,2-d]pyrimidin-7-yl]ethane-1,2-dione
CID 25024497
US11440913, Example 129
CID 155074097
US11440913, Example 121
CID 165437126
US11440913, Example 5
CID 142580759
US11440913, Example 178
CID 142580816
US11440913, Example 325
CID 142580829
US11440913, Example 14
CID 142581016
US11440913, Example 4
CID 154697491
US11440913, Example 32
CID 154697496
US11440913, Example 31
CID 154697498
US11440913, Example 128
CID 155074072
US11440913, Example 193
CID 155074076

Frequently Asked Questions

What is the IUPAC name of (2-ethoxyphenyl)-[(2R,3R)-2-methyl-3-[(4-phenylpyrimidin-2-yl)amino]piperidin-1-yl]methanone;[6-methyl-2-(triazol-1-yl)-3-pyridinyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone;[6-methyl-2-(triazol-2-yl)-3-pyridinyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone?
The IUPAC name of (2-ethoxyphenyl)-[(2R,3R)-2-methyl-3-[(4-phenylpyrimidin-2-yl)amino]piperidin-1-yl]methanone;[6-methyl-2-(triazol-1-yl)-3-pyridinyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone;[6-methyl-2-(triazol-2-yl)-3-pyridinyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone (CID 159429958) is (2-ethoxyphenyl)-[(2R,3R)-2-methyl-3-[(4-phenylpyrimidin-2-yl)amino]piperidin-1-yl]methanone;[6-methyl-2-(triazol-1-yl)-3-pyridinyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone;[6-methyl-2-(triazol-2-yl)-3-pyridinyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone.
What is the SMILES notation for (2-ethoxyphenyl)-[(2R,3R)-2-methyl-3-[(4-phenylpyrimidin-2-yl)amino]piperidin-1-yl]methanone;[6-methyl-2-(triazol-1-yl)-3-pyridinyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone;[6-methyl-2-(triazol-2-yl)-3-pyridinyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone?
The canonical SMILES for (2-ethoxyphenyl)-[(2R,3R)-2-methyl-3-[(4-phenylpyrimidin-2-yl)amino]piperidin-1-yl]methanone;[6-methyl-2-(triazol-1-yl)-3-pyridinyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone;[6-methyl-2-(triazol-2-yl)-3-pyridinyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone is CCOc1ccccc1C(=O)N1CCC[C@@H](Nc2nccc(-c3ccccc3)n2)[C@H]1C.Cc1ccc(C(=O)N2CCC[C@@H](Nc3ncc(C(F)(F)F)cn3)[C@@H]2C)c(-n2ccnn2)n1.Cc1ccc(C(=O)N2CCC[C@@H](Nc3ncc(C(F)(F)F)cn3)[C@@H]2C)c(-n2nccn2)n1.
What is the InChIKey of (2-ethoxyphenyl)-[(2R,3R)-2-methyl-3-[(4-phenylpyrimidin-2-yl)amino]piperidin-1-yl]methanone;[6-methyl-2-(triazol-1-yl)-3-pyridinyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone;[6-methyl-2-(triazol-2-yl)-3-pyridinyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone?
The InChIKey is LQVXYHVMCFQZOZ-YLASNRQBSA-N. The full InChI is InChI=1S/C25H28N4O2.2C20H21F3N8O/c1-3-31-23-14-8-7-12-20(23)24(30)29-17-9-13-21(18(29)2)27-25-26-16-15-22(28-25)19-10-5-4-6-11-19;1-12-5-6-15(17(28-12)31-26-7-8-27-31)18(32)30-9-3-4-16(13(30)2)29-19-24-10-14(11-25-19)20(21,22)23;1-12-5-6-15(17(27-12)31-9-7-26-29-31)18(32)30-8-3-4-16(13(30)2)28-19-24-10-14(11-25-19)20(21,22)23/h4-8,10-12,14-16,18,21H,3,9,13,17H2,1-2H3,(H,26,27,28);5-8,10-11,13,16H,3-4,9H2,1-2H3,(H,24,25,29);5-7,9-11,13,16H,3-4,8H2,1-2H3,(H,24,25,28)/t18-,21-;2*13-,16+/m100/s1.
What are the key properties of (2-ethoxyphenyl)-[(2R,3R)-2-methyl-3-[(4-phenylpyrimidin-2-yl)amino]piperidin-1-yl]methanone;[6-methyl-2-(triazol-1-yl)-3-pyridinyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone;[6-methyl-2-(triazol-2-yl)-3-pyridinyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone?
(2-ethoxyphenyl)-[(2R,3R)-2-methyl-3-[(4-phenylpyrimidin-2-yl)amino]piperidin-1-yl]methanone;[6-methyl-2-(triazol-1-yl)-3-pyridinyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone;[6-methyl-2-(triazol-2-yl)-3-pyridinyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone has a molecular weight of 1309.40 g/mol, XLogP of 10.42, 14 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxyphenyl)-[(2R,3R)-2-methyl-3-[(4-phenylpyrimidin-2-yl)amino]piperidin-1-yl]methanone;[6-methyl-2-(triazol-1-yl)-3-pyridinyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone;[6-methyl-2-(triazol-2-yl)-3-pyridinyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone is sourced from PubChem (CID 159429958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).