3-[4-[4-[2-[4-[[2-chloro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione;3-[4-[4-[2-[1-[[2-chloro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]ethyl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione;3-[4-[4-[2-[1-[[2-fluoro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]ethyl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione;3-[4-[4-[2-[4-[[4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)-2-(trifluoromethoxy)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione

C164H178Cl2F16N24O18 — CID 164963624

IUPAC3-[4-[4-[2-[4-[[2-chloro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione;3-[4-[4-[2-[1-[[2-chloro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]ethyl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione;3-[4-[4-[2-[1-[[2-fluoro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]ethyl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione;3-[4-[4-[2-[4-[[4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)-2-(trifluoromethoxy)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione
SMILESCOc1cc(-c2cn(C)c(=O)c3cnccc23)cc(Cl)c1CC1CCN(CC(=O)C2CCN(c3ccc(NC4CCC(=O)NC4=O)cc3C(F)(F)F)CC2)CC1.COc1cc(-c2cn(C)c(=O)c3cnccc23)cc(Cl)c1CN1CCC(CCC2CCN(c3ccc(NC4CCC(=O)NC4=O)cc3C(F)(F)F)CC2)CC1.COc1cc(-c2cn(C)c(=O)c3cnccc23)cc(F)c1CN1CCC(CCC2CCN(c3ccc(NC4CCC(=O)NC4=O)cc3C(F)(F)F)CC2)CC1.Cn1cc(-c2ccc(CC3CCN(CC(=O)C4CCN(c5ccc(NC6CCC(=O)NC6=O)cc5C(F)(F)F)CC4)CC3)c(OC(F)(F)F)c2)c2ccncc2c1=O
InChIInChI=1S/C41H44ClF3N6O5.C41H46ClF3N6O4.C41H42F6N6O5.C41H46F4N6O4/c1-49-22-31(28-7-12-46-21-30(28)40(49)55)26-18-33(42)29(37(19-26)56-2)17-24-8-13-50(14-9-24)23-36(52)25-10-15-51(16-11-25)35-5-3-27(20-32(35)41(43,44)45)47-34-4-6-38(53)48-39(34)54;1-49-23-31(29-9-14-46-22-30(29)40(49)54)27-19-34(42)32(37(20-27)55-2)24-50-15-10-25(11-16-50)3-4-26-12-17-51(18-13-26)36-7-5-28(21-33(36)41(43,44)45)47-35-6-8-38(52)48-39(35)53;1-51-22-31(29-8-13-48-21-30(29)39(51)57)26-2-3-27(36(19-26)58-41(45,46)47)18-24-9-14-52(15-10-24)23-35(54)25-11-16-53(17-12-25)34-6-4-28(20-32(34)40(42,43)44)49-33-5-7-37(55)50-38(33)56;1-49-23-31(29-9-14-46-22-30(29)40(49)54)27-19-34(42)32(37(20-27)55-2)24-50-15-10-25(11-16-50)3-4-26-12-17-51(18-13-26)36-7-5-28(21-33(36)41(43,44)45)47-35-6-8-38(52)48-39(35)53/h3,5,7,12,18-22,24-25,34,47H,4,6,8-11,13-17,23H2,1-2H3,(H,48,53,54);5,7,9,14,19-23,25-26,35,47H,3-4,6,8,10-13,15-18,24H2,1-2H3,(H,48,52,53);2-4,6,8,13,19-22,24-25,33,49H,5,7,9-12,14-18,23H2,1H3,(H,50,55,56);5,7,9,14,19-23,25-26,35,47H,3-4,6,8,10-13,15-18,24H2,1-2H3,(H,48,52,53)
InChIKeyCEAQIKONNXBBSD-UHFFFAOYSA-N
MW3148.25 g/mol
LogP27.01
Rot. Bonds40

About 3-[4-[4-[2-[4-[[2-chloro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione;3-[4-[4-[2-[1-[[2-chloro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]ethyl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione;3-[4-[4-[2-[1-[[2-fluoro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]ethyl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione;3-[4-[4-[2-[4-[[4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)-2-(trifluoromethoxy)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione

3-[4-[4-[2-[4-[[2-chloro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione;3-[4-[4-[2-[1-[[2-chloro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]ethyl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione;3-[4-[4-[2-[1-[[2-fluoro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]ethyl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione;3-[4-[4-[2-[4-[[4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)-2-(trifluoromethoxy)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione (PubChem CID 164963624) has the molecular formula C164H178Cl2F16N24O18 and a molecular weight of 3148.25 g/mol. Its IUPAC name is 3-[4-[4-[2-[4-[[2-chloro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione;3-[4-[4-[2-[1-[[2-chloro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]ethyl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione;3-[4-[4-[2-[1-[[2-fluoro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]ethyl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione;3-[4-[4-[2-[4-[[4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)-2-(trifluoromethoxy)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[4-[4-[2-[4-[[2-chloro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione;3-[4-[4-[2-[1-[[2-chloro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]ethyl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione;3-[4-[4-[2-[1-[[2-fluoro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]ethyl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione;3-[4-[4-[2-[4-[[4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)-2-(trifluoromethoxy)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione
PubChem CID164963624
Molecular FormulaC164H178Cl2F16N24O18
Molecular Weight3148.25 g/mol
Exact Mass3145.29
IUPAC Name3-[4-[4-[2-[4-[[2-chloro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione;3-[4-[4-[2-[1-[[2-chloro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]ethyl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione;3-[4-[4-[2-[1-[[2-fluoro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]ethyl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione;3-[4-[4-[2-[4-[[4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)-2-(trifluoromethoxy)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione
SMILESCOc1cc(-c2cn(C)c(=O)c3cnccc23)cc(Cl)c1CC1CCN(CC(=O)C2CCN(c3ccc(NC4CCC(=O)NC4=O)cc3C(F)(F)F)CC2)CC1.COc1cc(-c2cn(C)c(=O)c3cnccc23)cc(Cl)c1CN1CCC(CCC2CCN(c3ccc(NC4CCC(=O)NC4=O)cc3C(F)(F)F)CC2)CC1.COc1cc(-c2cn(C)c(=O)c3cnccc23)cc(F)c1CN1CCC(CCC2CCN(c3ccc(NC4CCC(=O)NC4=O)cc3C(F)(F)F)CC2)CC1.Cn1cc(-c2ccc(CC3CCN(CC(=O)C4CCN(c5ccc(NC6CCC(=O)NC6=O)cc5C(F)(F)F)CC4)CC3)c(OC(F)(F)F)c2)c2ccncc2c1=O
InChIInChI=1S/C41H44ClF3N6O5.C41H46ClF3N6O4.C41H42F6N6O5.C41H46F4N6O4/c1-49-22-31(28-7-12-46-21-30(28)40(49)55)26-18-33(42)29(37(19-26)56-2)17-24-8-13-50(14-9-24)23-36(52)25-10-15-51(16-11-25)35-5-3-27(20-32(35)41(43,44)45)47-34-4-6-38(53)48-39(34)54;1-49-23-31(29-9-14-46-22-30(29)40(49)54)27-19-34(42)32(37(20-27)55-2)24-50-15-10-25(11-16-50)3-4-26-12-17-51(18-13-26)36-7-5-28(21-33(36)41(43,44)45)47-35-6-8-38(52)48-39(35)53;1-51-22-31(29-8-13-48-21-30(29)39(51)57)26-2-3-27(36(19-26)58-41(45,46)47)18-24-9-14-52(15-10-24)23-35(54)25-11-16-53(17-12-25)34-6-4-28(20-32(34)40(42,43)44)49-33-5-7-37(55)50-38(33)56;1-49-23-31(29-9-14-46-22-30(29)40(49)54)27-19-34(42)32(37(20-27)55-2)24-50-15-10-25(11-16-50)3-4-26-12-17-51(18-13-26)36-7-5-28(21-33(36)41(43,44)45)47-35-6-8-38(52)48-39(35)53/h3,5,7,12,18-22,24-25,34,47H,4,6,8-11,13-17,23H2,1-2H3,(H,48,53,54);5,7,9,14,19-23,25-26,35,47H,3-4,6,8,10-13,15-18,24H2,1-2H3,(H,48,52,53);2-4,6,8,13,19-22,24-25,33,49H,5,7,9-12,14-18,23H2,1H3,(H,50,55,56);5,7,9,14,19-23,25-26,35,47H,3-4,6,8,10-13,15-18,24H2,1-2H3,(H,48,52,53)
InChIKeyCEAQIKONNXBBSD-UHFFFAOYSA-N
XLogP27.01
TPSA469.34 Ų
H-Bond Donors8
H-Bond Acceptors38
Rotatable Bonds40
Heavy Atoms224
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003148.25
LogP ≤ 527.01
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-[4-[4-[2-[4-[[2-chloro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione;3-[4-[4-[2-[1-[[2-chloro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]ethyl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione;3-[4-[4-[2-[1-[[2-fluoro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]ethyl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione;3-[4-[4-[2-[4-[[4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)-2-(trifluoromethoxy)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-[2-[4-[[2-chloro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione;3-[4-[4-[2-[1-[[2-chloro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]ethyl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione;3-[4-[4-[2-[1-[[2-fluoro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]ethyl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione;3-[4-[4-[2-[4-[[4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)-2-(trifluoromethoxy)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione?
The IUPAC name of 3-[4-[4-[2-[4-[[2-chloro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione;3-[4-[4-[2-[1-[[2-chloro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]ethyl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione;3-[4-[4-[2-[1-[[2-fluoro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]ethyl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione;3-[4-[4-[2-[4-[[4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)-2-(trifluoromethoxy)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione (CID 164963624) is 3-[4-[4-[2-[4-[[2-chloro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione;3-[4-[4-[2-[1-[[2-chloro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]ethyl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione;3-[4-[4-[2-[1-[[2-fluoro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]ethyl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione;3-[4-[4-[2-[4-[[4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)-2-(trifluoromethoxy)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione.
What is the SMILES notation for 3-[4-[4-[2-[4-[[2-chloro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione;3-[4-[4-[2-[1-[[2-chloro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]ethyl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione;3-[4-[4-[2-[1-[[2-fluoro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]ethyl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione;3-[4-[4-[2-[4-[[4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)-2-(trifluoromethoxy)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione?
The canonical SMILES for 3-[4-[4-[2-[4-[[2-chloro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione;3-[4-[4-[2-[1-[[2-chloro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]ethyl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione;3-[4-[4-[2-[1-[[2-fluoro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]ethyl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione;3-[4-[4-[2-[4-[[4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)-2-(trifluoromethoxy)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione is COc1cc(-c2cn(C)c(=O)c3cnccc23)cc(Cl)c1CC1CCN(CC(=O)C2CCN(c3ccc(NC4CCC(=O)NC4=O)cc3C(F)(F)F)CC2)CC1.COc1cc(-c2cn(C)c(=O)c3cnccc23)cc(Cl)c1CN1CCC(CCC2CCN(c3ccc(NC4CCC(=O)NC4=O)cc3C(F)(F)F)CC2)CC1.COc1cc(-c2cn(C)c(=O)c3cnccc23)cc(F)c1CN1CCC(CCC2CCN(c3ccc(NC4CCC(=O)NC4=O)cc3C(F)(F)F)CC2)CC1.Cn1cc(-c2ccc(CC3CCN(CC(=O)C4CCN(c5ccc(NC6CCC(=O)NC6=O)cc5C(F)(F)F)CC4)CC3)c(OC(F)(F)F)c2)c2ccncc2c1=O.
What is the InChIKey of 3-[4-[4-[2-[4-[[2-chloro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione;3-[4-[4-[2-[1-[[2-chloro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]ethyl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione;3-[4-[4-[2-[1-[[2-fluoro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]ethyl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione;3-[4-[4-[2-[4-[[4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)-2-(trifluoromethoxy)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione?
The InChIKey is CEAQIKONNXBBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H44ClF3N6O5.C41H46ClF3N6O4.C41H42F6N6O5.C41H46F4N6O4/c1-49-22-31(28-7-12-46-21-30(28)40(49)55)26-18-33(42)29(37(19-26)56-2)17-24-8-13-50(14-9-24)23-36(52)25-10-15-51(16-11-25)35-5-3-27(20-32(35)41(43,44)45)47-34-4-6-38(53)48-39(34)54;1-49-23-31(29-9-14-46-22-30(29)40(49)54)27-19-34(42)32(37(20-27)55-2)24-50-15-10-25(11-16-50)3-4-26-12-17-51(18-13-26)36-7-5-28(21-33(36)41(43,44)45)47-35-6-8-38(52)48-39(35)53;1-51-22-31(29-8-13-48-21-30(29)39(51)57)26-2-3-27(36(19-26)58-41(45,46)47)18-24-9-14-52(15-10-24)23-35(54)25-11-16-53(17-12-25)34-6-4-28(20-32(34)40(42,43)44)49-33-5-7-37(55)50-38(33)56;1-49-23-31(29-9-14-46-22-30(29)40(49)54)27-19-34(42)32(37(20-27)55-2)24-50-15-10-25(11-16-50)3-4-26-12-17-51(18-13-26)36-7-5-28(21-33(36)41(43,44)45)47-35-6-8-38(52)48-39(35)53/h3,5,7,12,18-22,24-25,34,47H,4,6,8-11,13-17,23H2,1-2H3,(H,48,53,54);5,7,9,14,19-23,25-26,35,47H,3-4,6,8,10-13,15-18,24H2,1-2H3,(H,48,52,53);2-4,6,8,13,19-22,24-25,33,49H,5,7,9-12,14-18,23H2,1H3,(H,50,55,56);5,7,9,14,19-23,25-26,35,47H,3-4,6,8,10-13,15-18,24H2,1-2H3,(H,48,52,53).
What are the key properties of 3-[4-[4-[2-[4-[[2-chloro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione;3-[4-[4-[2-[1-[[2-chloro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]ethyl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione;3-[4-[4-[2-[1-[[2-fluoro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]ethyl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione;3-[4-[4-[2-[4-[[4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)-2-(trifluoromethoxy)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione?
3-[4-[4-[2-[4-[[2-chloro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione;3-[4-[4-[2-[1-[[2-chloro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]ethyl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione;3-[4-[4-[2-[1-[[2-fluoro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]ethyl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione;3-[4-[4-[2-[4-[[4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)-2-(trifluoromethoxy)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione has a molecular weight of 3148.25 g/mol, XLogP of 27.01, 40 rotatable bonds, 8 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-[2-[4-[[2-chloro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione;3-[4-[4-[2-[1-[[2-chloro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]ethyl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione;3-[4-[4-[2-[1-[[2-fluoro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]ethyl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione;3-[4-[4-[2-[4-[[4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)-2-(trifluoromethoxy)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione is sourced from PubChem (CID 164963624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).