4-[[4-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]morpholin-3-one;1-[[4-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;4-[[5-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]morpholin-3-one;1-[[5-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidin-2-one;4-[[4-[5-(hydroxymethyl)-2-(trifluoromethyl)pyrimidin-4-yl]phenyl]methyl]morpholin-3-one;1-[[4-[5-(hydroxymethyl)-2-(trifluoromethyl)pyrimidin-4-yl]phenyl]methyl]pyrrolidin-2-one;4-[[5-[5-(hydroxymethyl)-2-(trifluoromethyl)pyrimidin-4-yl]-2-pyridinyl]methyl]morpholin-3-one;1-[[5-[5-(hydroxymethyl)-2-(trifluoromethyl)pyrimidin-4-yl]-2-pyridinyl]methyl]pyrrolidin-2-one

C136H128F24N24O20 — CID 159625510

IUPAC4-[[4-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]morpholin-3-one;1-[[4-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;4-[[5-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]morpholin-3-one;1-[[5-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidin-2-one;4-[[4-[5-(hydroxymethyl)-2-(trifluoromethyl)pyrimidin-4-yl]phenyl]methyl]morpholin-3-one;1-[[4-[5-(hydroxymethyl)-2-(trifluoromethyl)pyrimidin-4-yl]phenyl]methyl]pyrrolidin-2-one;4-[[5-[5-(hydroxymethyl)-2-(trifluoromethyl)pyrimidin-4-yl]-2-pyridinyl]methyl]morpholin-3-one;1-[[5-[5-(hydroxymethyl)-2-(trifluoromethyl)pyrimidin-4-yl]-2-pyridinyl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1Cc1ccc(-c2nc(C(F)(F)F)ccc2CO)cc1.O=C1CCCN1Cc1ccc(-c2nc(C(F)(F)F)ccc2CO)cn1.O=C1CCCN1Cc1ccc(-c2nc(C(F)(F)F)ncc2CO)cc1.O=C1CCCN1Cc1ccc(-c2nc(C(F)(F)F)ncc2CO)cn1.O=C1COCCN1Cc1ccc(-c2nc(C(F)(F)F)ccc2CO)cc1.O=C1COCCN1Cc1ccc(-c2nc(C(F)(F)F)ccc2CO)cn1.O=C1COCCN1Cc1ccc(-c2nc(C(F)(F)F)ncc2CO)cc1.O=C1COCCN1Cc1ccc(-c2nc(C(F)(F)F)ncc2CO)cn1
InChIInChI=1S/C18H17F3N2O3.C18H17F3N2O2.2C17H16F3N3O3.2C17H16F3N3O2.C16H15F3N4O3.C16H15F3N4O2/c19-18(20,21)15-6-5-14(10-24)17(22-15)13-3-1-12(2-4-13)9-23-7-8-26-11-16(23)25;19-18(20,21)15-8-7-14(11-24)17(22-15)13-5-3-12(4-6-13)10-23-9-1-2-16(23)25;18-17(19,20)14-4-2-12(9-24)16(22-14)11-1-3-13(21-7-11)8-23-5-6-26-10-15(23)25;18-17(19,20)16-21-7-13(9-24)15(22-16)12-3-1-11(2-4-12)8-23-5-6-26-10-14(23)25;18-17(19,20)14-6-4-12(10-24)16(22-14)11-3-5-13(21-8-11)9-23-7-1-2-15(23)25;18-17(19,20)16-21-8-13(10-24)15(22-16)12-5-3-11(4-6-12)9-23-7-1-2-14(23)25;17-16(18,19)15-21-6-11(8-24)14(22-15)10-1-2-12(20-5-10)7-23-3-4-26-9-13(23)25;17-16(18,19)15-21-7-11(9-24)14(22-15)10-3-4-12(20-6-10)8-23-5-1-2-13(23)25/h1-6,24H,7-11H2;3-8,24H,1-2,9-11H2;2*1-4,7,24H,5-6,8-10H2;2*3-6,8,24H,1-2,7,9-10H2;1-2,5-6,24H,3-4,7-9H2;3-4,6-7,24H,1-2,5,8-9H2
InChIKeyMOKXVJPFNOHAFD-UHFFFAOYSA-N
MW2874.62 g/mol
LogP19.16
Rot. Bonds32

About 4-[[4-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]morpholin-3-one;1-[[4-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;4-[[5-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]morpholin-3-one;1-[[5-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidin-2-one;4-[[4-[5-(hydroxymethyl)-2-(trifluoromethyl)pyrimidin-4-yl]phenyl]methyl]morpholin-3-one;1-[[4-[5-(hydroxymethyl)-2-(trifluoromethyl)pyrimidin-4-yl]phenyl]methyl]pyrrolidin-2-one;4-[[5-[5-(hydroxymethyl)-2-(trifluoromethyl)pyrimidin-4-yl]-2-pyridinyl]methyl]morpholin-3-one;1-[[5-[5-(hydroxymethyl)-2-(trifluoromethyl)pyrimidin-4-yl]-2-pyridinyl]methyl]pyrrolidin-2-one

4-[[4-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]morpholin-3-one;1-[[4-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;4-[[5-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]morpholin-3-one;1-[[5-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidin-2-one;4-[[4-[5-(hydroxymethyl)-2-(trifluoromethyl)pyrimidin-4-yl]phenyl]methyl]morpholin-3-one;1-[[4-[5-(hydroxymethyl)-2-(trifluoromethyl)pyrimidin-4-yl]phenyl]methyl]pyrrolidin-2-one;4-[[5-[5-(hydroxymethyl)-2-(trifluoromethyl)pyrimidin-4-yl]-2-pyridinyl]methyl]morpholin-3-one;1-[[5-[5-(hydroxymethyl)-2-(trifluoromethyl)pyrimidin-4-yl]-2-pyridinyl]methyl]pyrrolidin-2-one (PubChem CID 159625510) has the molecular formula C136H128F24N24O20 and a molecular weight of 2874.62 g/mol. Its IUPAC name is 4-[[4-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]morpholin-3-one;1-[[4-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;4-[[5-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]morpholin-3-one;1-[[5-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidin-2-one;4-[[4-[5-(hydroxymethyl)-2-(trifluoromethyl)pyrimidin-4-yl]phenyl]methyl]morpholin-3-one;1-[[4-[5-(hydroxymethyl)-2-(trifluoromethyl)pyrimidin-4-yl]phenyl]methyl]pyrrolidin-2-one;4-[[5-[5-(hydroxymethyl)-2-(trifluoromethyl)pyrimidin-4-yl]-2-pyridinyl]methyl]morpholin-3-one;1-[[5-[5-(hydroxymethyl)-2-(trifluoromethyl)pyrimidin-4-yl]-2-pyridinyl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[[4-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]morpholin-3-one;1-[[4-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;4-[[5-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]morpholin-3-one;1-[[5-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidin-2-one;4-[[4-[5-(hydroxymethyl)-2-(trifluoromethyl)pyrimidin-4-yl]phenyl]methyl]morpholin-3-one;1-[[4-[5-(hydroxymethyl)-2-(trifluoromethyl)pyrimidin-4-yl]phenyl]methyl]pyrrolidin-2-one;4-[[5-[5-(hydroxymethyl)-2-(trifluoromethyl)pyrimidin-4-yl]-2-pyridinyl]methyl]morpholin-3-one;1-[[5-[5-(hydroxymethyl)-2-(trifluoromethyl)pyrimidin-4-yl]-2-pyridinyl]methyl]pyrrolidin-2-one
PubChem CID159625510
Molecular FormulaC136H128F24N24O20
Molecular Weight2874.62 g/mol
Exact Mass2872.94
IUPAC Name4-[[4-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]morpholin-3-one;1-[[4-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;4-[[5-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]morpholin-3-one;1-[[5-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidin-2-one;4-[[4-[5-(hydroxymethyl)-2-(trifluoromethyl)pyrimidin-4-yl]phenyl]methyl]morpholin-3-one;1-[[4-[5-(hydroxymethyl)-2-(trifluoromethyl)pyrimidin-4-yl]phenyl]methyl]pyrrolidin-2-one;4-[[5-[5-(hydroxymethyl)-2-(trifluoromethyl)pyrimidin-4-yl]-2-pyridinyl]methyl]morpholin-3-one;1-[[5-[5-(hydroxymethyl)-2-(trifluoromethyl)pyrimidin-4-yl]-2-pyridinyl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1Cc1ccc(-c2nc(C(F)(F)F)ccc2CO)cc1.O=C1CCCN1Cc1ccc(-c2nc(C(F)(F)F)ccc2CO)cn1.O=C1CCCN1Cc1ccc(-c2nc(C(F)(F)F)ncc2CO)cc1.O=C1CCCN1Cc1ccc(-c2nc(C(F)(F)F)ncc2CO)cn1.O=C1COCCN1Cc1ccc(-c2nc(C(F)(F)F)ccc2CO)cc1.O=C1COCCN1Cc1ccc(-c2nc(C(F)(F)F)ccc2CO)cn1.O=C1COCCN1Cc1ccc(-c2nc(C(F)(F)F)ncc2CO)cc1.O=C1COCCN1Cc1ccc(-c2nc(C(F)(F)F)ncc2CO)cn1
InChIInChI=1S/C18H17F3N2O3.C18H17F3N2O2.2C17H16F3N3O3.2C17H16F3N3O2.C16H15F3N4O3.C16H15F3N4O2/c19-18(20,21)15-6-5-14(10-24)17(22-15)13-3-1-12(2-4-13)9-23-7-8-26-11-16(23)25;19-18(20,21)15-8-7-14(11-24)17(22-15)13-5-3-12(4-6-13)10-23-9-1-2-16(23)25;18-17(19,20)14-4-2-12(9-24)16(22-14)11-1-3-13(21-7-11)8-23-5-6-26-10-15(23)25;18-17(19,20)16-21-7-13(9-24)15(22-16)12-3-1-11(2-4-12)8-23-5-6-26-10-14(23)25;18-17(19,20)14-6-4-12(10-24)16(22-14)11-3-5-13(21-8-11)9-23-7-1-2-15(23)25;18-17(19,20)16-21-8-13(10-24)15(22-16)12-5-3-11(4-6-12)9-23-7-1-2-14(23)25;17-16(18,19)15-21-6-11(8-24)14(22-15)10-1-2-12(20-5-10)7-23-3-4-26-9-13(23)25;17-16(18,19)15-21-7-11(9-24)14(22-15)10-3-4-12(20-6-10)8-23-5-1-2-13(23)25/h1-6,24H,7-11H2;3-8,24H,1-2,9-11H2;2*1-4,7,24H,5-6,8-10H2;2*3-6,8,24H,1-2,7,9-10H2;1-2,5-6,24H,3-4,7-9H2;3-4,6-7,24H,1-2,5,8-9H2
InChIKeyMOKXVJPFNOHAFD-UHFFFAOYSA-N
XLogP19.16
TPSA567.48 Ų
H-Bond Donors8
H-Bond Acceptors36
Rotatable Bonds32
Heavy Atoms204
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002874.62
LogP ≤ 519.16
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1036

Analyze 4-[[4-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]morpholin-3-one;1-[[4-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;4-[[5-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]morpholin-3-one;1-[[5-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidin-2-one;4-[[4-[5-(hydroxymethyl)-2-(trifluoromethyl)pyrimidin-4-yl]phenyl]methyl]morpholin-3-one;1-[[4-[5-(hydroxymethyl)-2-(trifluoromethyl)pyrimidin-4-yl]phenyl]methyl]pyrrolidin-2-one;4-[[5-[5-(hydroxymethyl)-2-(trifluoromethyl)pyrimidin-4-yl]-2-pyridinyl]methyl]morpholin-3-one;1-[[5-[5-(hydroxymethyl)-2-(trifluoromethyl)pyrimidin-4-yl]-2-pyridinyl]methyl]pyrrolidin-2-one 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

1-[[4-[6-(Difluoromethyl)-3-(hydroxymethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;1-[[4-[4-(methoxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;1-[[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]methyl]pyrrolidin-2-one
CID 157528005
1-[[5-[3-(Fluoromethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidin-2-one;1-[[5-[3-(fluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidin-2-one;1-[[4-[4-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;1-[[4-[4-(methoxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;4-methyl-2-[4-[(2-oxopiperidin-1-yl)methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carbonitrile;1-[[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]methyl]pyrrolidin-2-one
CID 157692862
4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-(4-methoxyoxan-4-yl)ethyl]pyrimidine;6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-N-[(2-methoxy-4-pyridinyl)methyl]pyrimidin-4-amine;5-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]-N,N-dimethyloxolane-2-carboxamide;1-[6-[[[5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-yl]amino]methyl]-2-methyl-3-pyridinyl]ethanol
CID 159058206
1-[[4-[5,6-Dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]phenyl]methyl]pyrrolidin-2-one;1-[[4-[3-(hydroxymethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]piperidin-2-one;1-[[4-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]piperidin-2-one;1-[[4-[5-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]piperidin-2-one;2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 159095918
1-[[5-[3-(Hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidin-2-one;1-[[4-[5-(hydroxymethyl)-2-(trifluoromethyl)pyrimidin-4-yl]phenyl]methyl]pyrrolidin-2-one
CID 161589240

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]morpholin-3-one;1-[[4-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;4-[[5-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]morpholin-3-one;1-[[5-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidin-2-one;4-[[4-[5-(hydroxymethyl)-2-(trifluoromethyl)pyrimidin-4-yl]phenyl]methyl]morpholin-3-one;1-[[4-[5-(hydroxymethyl)-2-(trifluoromethyl)pyrimidin-4-yl]phenyl]methyl]pyrrolidin-2-one;4-[[5-[5-(hydroxymethyl)-2-(trifluoromethyl)pyrimidin-4-yl]-2-pyridinyl]methyl]morpholin-3-one;1-[[5-[5-(hydroxymethyl)-2-(trifluoromethyl)pyrimidin-4-yl]-2-pyridinyl]methyl]pyrrolidin-2-one?
The IUPAC name of 4-[[4-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]morpholin-3-one;1-[[4-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;4-[[5-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]morpholin-3-one;1-[[5-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidin-2-one;4-[[4-[5-(hydroxymethyl)-2-(trifluoromethyl)pyrimidin-4-yl]phenyl]methyl]morpholin-3-one;1-[[4-[5-(hydroxymethyl)-2-(trifluoromethyl)pyrimidin-4-yl]phenyl]methyl]pyrrolidin-2-one;4-[[5-[5-(hydroxymethyl)-2-(trifluoromethyl)pyrimidin-4-yl]-2-pyridinyl]methyl]morpholin-3-one;1-[[5-[5-(hydroxymethyl)-2-(trifluoromethyl)pyrimidin-4-yl]-2-pyridinyl]methyl]pyrrolidin-2-one (CID 159625510) is 4-[[4-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]morpholin-3-one;1-[[4-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;4-[[5-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]morpholin-3-one;1-[[5-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidin-2-one;4-[[4-[5-(hydroxymethyl)-2-(trifluoromethyl)pyrimidin-4-yl]phenyl]methyl]morpholin-3-one;1-[[4-[5-(hydroxymethyl)-2-(trifluoromethyl)pyrimidin-4-yl]phenyl]methyl]pyrrolidin-2-one;4-[[5-[5-(hydroxymethyl)-2-(trifluoromethyl)pyrimidin-4-yl]-2-pyridinyl]methyl]morpholin-3-one;1-[[5-[5-(hydroxymethyl)-2-(trifluoromethyl)pyrimidin-4-yl]-2-pyridinyl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 4-[[4-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]morpholin-3-one;1-[[4-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;4-[[5-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]morpholin-3-one;1-[[5-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidin-2-one;4-[[4-[5-(hydroxymethyl)-2-(trifluoromethyl)pyrimidin-4-yl]phenyl]methyl]morpholin-3-one;1-[[4-[5-(hydroxymethyl)-2-(trifluoromethyl)pyrimidin-4-yl]phenyl]methyl]pyrrolidin-2-one;4-[[5-[5-(hydroxymethyl)-2-(trifluoromethyl)pyrimidin-4-yl]-2-pyridinyl]methyl]morpholin-3-one;1-[[5-[5-(hydroxymethyl)-2-(trifluoromethyl)pyrimidin-4-yl]-2-pyridinyl]methyl]pyrrolidin-2-one?
The canonical SMILES for 4-[[4-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]morpholin-3-one;1-[[4-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;4-[[5-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]morpholin-3-one;1-[[5-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidin-2-one;4-[[4-[5-(hydroxymethyl)-2-(trifluoromethyl)pyrimidin-4-yl]phenyl]methyl]morpholin-3-one;1-[[4-[5-(hydroxymethyl)-2-(trifluoromethyl)pyrimidin-4-yl]phenyl]methyl]pyrrolidin-2-one;4-[[5-[5-(hydroxymethyl)-2-(trifluoromethyl)pyrimidin-4-yl]-2-pyridinyl]methyl]morpholin-3-one;1-[[5-[5-(hydroxymethyl)-2-(trifluoromethyl)pyrimidin-4-yl]-2-pyridinyl]methyl]pyrrolidin-2-one is O=C1CCCN1Cc1ccc(-c2nc(C(F)(F)F)ccc2CO)cc1.O=C1CCCN1Cc1ccc(-c2nc(C(F)(F)F)ccc2CO)cn1.O=C1CCCN1Cc1ccc(-c2nc(C(F)(F)F)ncc2CO)cc1.O=C1CCCN1Cc1ccc(-c2nc(C(F)(F)F)ncc2CO)cn1.O=C1COCCN1Cc1ccc(-c2nc(C(F)(F)F)ccc2CO)cc1.O=C1COCCN1Cc1ccc(-c2nc(C(F)(F)F)ccc2CO)cn1.O=C1COCCN1Cc1ccc(-c2nc(C(F)(F)F)ncc2CO)cc1.O=C1COCCN1Cc1ccc(-c2nc(C(F)(F)F)ncc2CO)cn1.
What is the InChIKey of 4-[[4-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]morpholin-3-one;1-[[4-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;4-[[5-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]morpholin-3-one;1-[[5-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidin-2-one;4-[[4-[5-(hydroxymethyl)-2-(trifluoromethyl)pyrimidin-4-yl]phenyl]methyl]morpholin-3-one;1-[[4-[5-(hydroxymethyl)-2-(trifluoromethyl)pyrimidin-4-yl]phenyl]methyl]pyrrolidin-2-one;4-[[5-[5-(hydroxymethyl)-2-(trifluoromethyl)pyrimidin-4-yl]-2-pyridinyl]methyl]morpholin-3-one;1-[[5-[5-(hydroxymethyl)-2-(trifluoromethyl)pyrimidin-4-yl]-2-pyridinyl]methyl]pyrrolidin-2-one?
The InChIKey is MOKXVJPFNOHAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O3.C18H17F3N2O2.2C17H16F3N3O3.2C17H16F3N3O2.C16H15F3N4O3.C16H15F3N4O2/c19-18(20,21)15-6-5-14(10-24)17(22-15)13-3-1-12(2-4-13)9-23-7-8-26-11-16(23)25;19-18(20,21)15-8-7-14(11-24)17(22-15)13-5-3-12(4-6-13)10-23-9-1-2-16(23)25;18-17(19,20)14-4-2-12(9-24)16(22-14)11-1-3-13(21-7-11)8-23-5-6-26-10-15(23)25;18-17(19,20)16-21-7-13(9-24)15(22-16)12-3-1-11(2-4-12)8-23-5-6-26-10-14(23)25;18-17(19,20)14-6-4-12(10-24)16(22-14)11-3-5-13(21-8-11)9-23-7-1-2-15(23)25;18-17(19,20)16-21-8-13(10-24)15(22-16)12-5-3-11(4-6-12)9-23-7-1-2-14(23)25;17-16(18,19)15-21-6-11(8-24)14(22-15)10-1-2-12(20-5-10)7-23-3-4-26-9-13(23)25;17-16(18,19)15-21-7-11(9-24)14(22-15)10-3-4-12(20-6-10)8-23-5-1-2-13(23)25/h1-6,24H,7-11H2;3-8,24H,1-2,9-11H2;2*1-4,7,24H,5-6,8-10H2;2*3-6,8,24H,1-2,7,9-10H2;1-2,5-6,24H,3-4,7-9H2;3-4,6-7,24H,1-2,5,8-9H2.
What are the key properties of 4-[[4-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]morpholin-3-one;1-[[4-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;4-[[5-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]morpholin-3-one;1-[[5-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidin-2-one;4-[[4-[5-(hydroxymethyl)-2-(trifluoromethyl)pyrimidin-4-yl]phenyl]methyl]morpholin-3-one;1-[[4-[5-(hydroxymethyl)-2-(trifluoromethyl)pyrimidin-4-yl]phenyl]methyl]pyrrolidin-2-one;4-[[5-[5-(hydroxymethyl)-2-(trifluoromethyl)pyrimidin-4-yl]-2-pyridinyl]methyl]morpholin-3-one;1-[[5-[5-(hydroxymethyl)-2-(trifluoromethyl)pyrimidin-4-yl]-2-pyridinyl]methyl]pyrrolidin-2-one?
4-[[4-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]morpholin-3-one;1-[[4-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;4-[[5-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]morpholin-3-one;1-[[5-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidin-2-one;4-[[4-[5-(hydroxymethyl)-2-(trifluoromethyl)pyrimidin-4-yl]phenyl]methyl]morpholin-3-one;1-[[4-[5-(hydroxymethyl)-2-(trifluoromethyl)pyrimidin-4-yl]phenyl]methyl]pyrrolidin-2-one;4-[[5-[5-(hydroxymethyl)-2-(trifluoromethyl)pyrimidin-4-yl]-2-pyridinyl]methyl]morpholin-3-one;1-[[5-[5-(hydroxymethyl)-2-(trifluoromethyl)pyrimidin-4-yl]-2-pyridinyl]methyl]pyrrolidin-2-one has a molecular weight of 2874.62 g/mol, XLogP of 19.16, 32 rotatable bonds, 8 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]morpholin-3-one;1-[[4-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;4-[[5-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]morpholin-3-one;1-[[5-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidin-2-one;4-[[4-[5-(hydroxymethyl)-2-(trifluoromethyl)pyrimidin-4-yl]phenyl]methyl]morpholin-3-one;1-[[4-[5-(hydroxymethyl)-2-(trifluoromethyl)pyrimidin-4-yl]phenyl]methyl]pyrrolidin-2-one;4-[[5-[5-(hydroxymethyl)-2-(trifluoromethyl)pyrimidin-4-yl]-2-pyridinyl]methyl]morpholin-3-one;1-[[5-[5-(hydroxymethyl)-2-(trifluoromethyl)pyrimidin-4-yl]-2-pyridinyl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 159625510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).