[(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[3-fluoro-2-(5-fluoropyrimidin-2-yl)phenyl]methanone;[(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(5-methyl-2-pyrimidin-2-yl-3-pyridinyl)methanone;[(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone

C69H60Cl3F11N14O6 — CID 157440013

IUPAC[(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[3-fluoro-2-(5-fluoropyrimidin-2-yl)phenyl]methanone;[(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(5-methyl-2-pyrimidin-2-yl-3-pyridinyl)methanone;[(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone
SMILESC[C@H]1[C@H](Oc2ncc(C(F)(F)F)cc2Cl)CCCN1C(=O)c1cccc(F)c1-c1ncc(F)cn1.Cc1ccc(-c2ncccn2)c(C(=O)N2CCC[C@@H](Oc3ncc(C(F)(F)F)cc3Cl)[C@@H]2C)n1.Cc1cnc(-c2ncccn2)c(C(=O)N2CCC[C@@H](Oc3ncc(C(F)(F)F)cc3Cl)[C@@H]2C)c1
InChIInChI=1S/C23H18ClF5N4O2.2C23H21ClF3N5O2/c1-12-18(35-21-16(24)8-13(9-32-21)23(27,28)29)6-3-7-33(12)22(34)15-4-2-5-17(26)19(15)20-30-10-14(25)11-31-20;1-13-6-7-16(20-28-8-4-9-29-20)19(31-13)22(33)32-10-3-5-18(14(32)2)34-21-17(24)11-15(12-30-21)23(25,26)27;1-13-9-16(19(30-11-13)20-28-6-4-7-29-20)22(33)32-8-3-5-18(14(32)2)34-21-17(24)10-15(12-31-21)23(25,26)27/h2,4-5,8-12,18H,3,6-7H2,1H3;4,6-9,11-12,14,18H,3,5,10H2,1-2H3;4,6-7,9-12,14,18H,3,5,8H2,1-2H3/t12-,18+;2*14-,18+/m000/s1
InChIKeyBROFERZXWAHOFH-IOVBJJCSSA-N
MW1496.67 g/mol
LogP15.53
Rot. Bonds12

About [(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[3-fluoro-2-(5-fluoropyrimidin-2-yl)phenyl]methanone;[(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(5-methyl-2-pyrimidin-2-yl-3-pyridinyl)methanone;[(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone

[(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[3-fluoro-2-(5-fluoropyrimidin-2-yl)phenyl]methanone;[(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(5-methyl-2-pyrimidin-2-yl-3-pyridinyl)methanone;[(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone (PubChem CID 157440013) has the molecular formula C69H60Cl3F11N14O6 and a molecular weight of 1496.67 g/mol. Its IUPAC name is [(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[3-fluoro-2-(5-fluoropyrimidin-2-yl)phenyl]methanone;[(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(5-methyl-2-pyrimidin-2-yl-3-pyridinyl)methanone;[(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(6-methyl-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]-[3-fluoro-2-(5-fluoropyrimidin-2-yl)phenyl]methanone;[(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(5-methyl-2-pyrimidin-2-yl-3-pyridinyl)methanone;[(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone
PubChem CID157440013
Molecular FormulaC69H60Cl3F11N14O6
Molecular Weight1496.67 g/mol
Exact Mass1494.37
IUPAC Name[(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[3-fluoro-2-(5-fluoropyrimidin-2-yl)phenyl]methanone;[(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(5-methyl-2-pyrimidin-2-yl-3-pyridinyl)methanone;[(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone
SMILESC[C@H]1[C@H](Oc2ncc(C(F)(F)F)cc2Cl)CCCN1C(=O)c1cccc(F)c1-c1ncc(F)cn1.Cc1ccc(-c2ncccn2)c(C(=O)N2CCC[C@@H](Oc3ncc(C(F)(F)F)cc3Cl)[C@@H]2C)n1.Cc1cnc(-c2ncccn2)c(C(=O)N2CCC[C@@H](Oc3ncc(C(F)(F)F)cc3Cl)[C@@H]2C)c1
InChIInChI=1S/C23H18ClF5N4O2.2C23H21ClF3N5O2/c1-12-18(35-21-16(24)8-13(9-32-21)23(27,28)29)6-3-7-33(12)22(34)15-4-2-5-17(26)19(15)20-30-10-14(25)11-31-20;1-13-6-7-16(20-28-8-4-9-29-20)19(31-13)22(33)32-10-3-5-18(14(32)2)34-21-17(24)11-15(12-30-21)23(25,26)27;1-13-9-16(19(30-11-13)20-28-6-4-7-29-20)22(33)32-8-3-5-18(14(32)2)34-21-17(24)10-15(12-31-21)23(25,26)27/h2,4-5,8-12,18H,3,6-7H2,1H3;4,6-9,11-12,14,18H,3,5,10H2,1-2H3;4,6-7,9-12,14,18H,3,5,8H2,1-2H3/t12-,18+;2*14-,18+/m000/s1
InChIKeyBROFERZXWAHOFH-IOVBJJCSSA-N
XLogP15.53
TPSA230.41 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds12
Heavy Atoms103
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001496.67
LogP ≤ 515.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze [(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[3-fluoro-2-(5-fluoropyrimidin-2-yl)phenyl]methanone;[(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(5-methyl-2-pyrimidin-2-yl-3-pyridinyl)methanone;[(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-methyl-2-(pyrimidin-2-yl)pyridin-3-yl)((2S,3R)-2-methyl-3-((5-(trifluoromethyl)pyridin-2-yl)oxy)piperidin-1-yl)methanone
CID 117629953
((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-2-(pyrimidin-2-yl)pyridin-3-yl)methanone
CID 117630101
((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

Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[3-fluoro-2-(5-fluoropyrimidin-2-yl)phenyl]methanone;[(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(5-methyl-2-pyrimidin-2-yl-3-pyridinyl)methanone;[(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(6-methyl-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]-[3-fluoro-2-(5-fluoropyrimidin-2-yl)phenyl]methanone;[(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(5-methyl-2-pyrimidin-2-yl-3-pyridinyl)methanone;[(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone (CID 157440013) is [(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[3-fluoro-2-(5-fluoropyrimidin-2-yl)phenyl]methanone;[(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(5-methyl-2-pyrimidin-2-yl-3-pyridinyl)methanone;[(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(6-methyl-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]-[3-fluoro-2-(5-fluoropyrimidin-2-yl)phenyl]methanone;[(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(5-methyl-2-pyrimidin-2-yl-3-pyridinyl)methanone;[(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(6-methyl-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]-[3-fluoro-2-(5-fluoropyrimidin-2-yl)phenyl]methanone;[(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(5-methyl-2-pyrimidin-2-yl-3-pyridinyl)methanone;[(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone is C[C@H]1[C@H](Oc2ncc(C(F)(F)F)cc2Cl)CCCN1C(=O)c1cccc(F)c1-c1ncc(F)cn1.Cc1ccc(-c2ncccn2)c(C(=O)N2CCC[C@@H](Oc3ncc(C(F)(F)F)cc3Cl)[C@@H]2C)n1.Cc1cnc(-c2ncccn2)c(C(=O)N2CCC[C@@H](Oc3ncc(C(F)(F)F)cc3Cl)[C@@H]2C)c1.
What is the InChIKey of [(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[3-fluoro-2-(5-fluoropyrimidin-2-yl)phenyl]methanone;[(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(5-methyl-2-pyrimidin-2-yl-3-pyridinyl)methanone;[(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone?
The InChIKey is BROFERZXWAHOFH-IOVBJJCSSA-N. The full InChI is InChI=1S/C23H18ClF5N4O2.2C23H21ClF3N5O2/c1-12-18(35-21-16(24)8-13(9-32-21)23(27,28)29)6-3-7-33(12)22(34)15-4-2-5-17(26)19(15)20-30-10-14(25)11-31-20;1-13-6-7-16(20-28-8-4-9-29-20)19(31-13)22(33)32-10-3-5-18(14(32)2)34-21-17(24)11-15(12-30-21)23(25,26)27;1-13-9-16(19(30-11-13)20-28-6-4-7-29-20)22(33)32-8-3-5-18(14(32)2)34-21-17(24)10-15(12-31-21)23(25,26)27/h2,4-5,8-12,18H,3,6-7H2,1H3;4,6-9,11-12,14,18H,3,5,10H2,1-2H3;4,6-7,9-12,14,18H,3,5,8H2,1-2H3/t12-,18+;2*14-,18+/m000/s1.
What are the key properties of [(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[3-fluoro-2-(5-fluoropyrimidin-2-yl)phenyl]methanone;[(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(5-methyl-2-pyrimidin-2-yl-3-pyridinyl)methanone;[(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone?
[(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[3-fluoro-2-(5-fluoropyrimidin-2-yl)phenyl]methanone;[(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(5-methyl-2-pyrimidin-2-yl-3-pyridinyl)methanone;[(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone has a molecular weight of 1496.67 g/mol, XLogP of 15.53, 12 rotatable bonds, 0 hydrogen bond donors, and 17 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]-[3-fluoro-2-(5-fluoropyrimidin-2-yl)phenyl]methanone;[(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(5-methyl-2-pyrimidin-2-yl-3-pyridinyl)methanone;[(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone is sourced from PubChem (CID 157440013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).