1-[[5-[3-(fluoromethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidin-2-one;1-[[4-[3-(fluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]piperidin-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;4-methyl-2-[4-[(2-oxopiperidin-1-yl)methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carbonitrile

C92H85F18N13O6 — CID 158142133

IUPAC1-[[5-[3-(fluoromethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidin-2-one;1-[[4-[3-(fluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]piperidin-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;4-methyl-2-[4-[(2-oxopiperidin-1-yl)methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCc1cc(C(F)(F)F)nc(-c2ccc(CN3CCCC3=O)nc2)c1CF.Cc1cc(C(F)(F)F)nc(-c2ccc(CN3CCCCC3=O)cc2)c1C#N.O=C1CCCCN1Cc1ccc(-c2nc(C(F)(F)F)ccc2CF)cc1.O=C1CCCN1Cc1ccc(-c2cc(CO)cc(C(F)(F)F)n2)cc1.O=C1CCCN1Cc1ccc(-c2nc(C(F)(F)F)ccc2CF)cn1
InChIInChI=1S/C20H18F3N3O.C19H18F4N2O.C18H17F4N3O.C18H17F3N2O2.C17H15F4N3O/c1-13-10-17(20(21,22)23)25-19(16(13)11-24)15-7-5-14(6-8-15)12-26-9-3-2-4-18(26)27;20-11-15-8-9-16(19(21,22)23)24-18(15)14-6-4-13(5-7-14)12-25-10-2-1-3-17(25)26;1-11-7-15(18(20,21)22)24-17(14(11)8-19)12-4-5-13(23-9-12)10-25-6-2-3-16(25)26;19-18(20,21)16-9-13(11-24)8-15(22-16)14-5-3-12(4-6-14)10-23-7-1-2-17(23)25;18-8-11-4-6-14(17(19,20)21)23-16(11)12-3-5-13(22-9-12)10-24-7-1-2-15(24)25/h5-8,10H,2-4,9,12H2,1H3;4-9H,1-3,10-12H2;4-5,7,9H,2-3,6,8,10H2,1H3;3-6,8-9,24H,1-2,7,10-11H2;3-6,9H,1-2,7-8,10H2
InChIKeyFUBMJYQMUCLPLY-UHFFFAOYSA-N
MW1810.74 g/mol
LogP20.41
Rot. Bonds19

About 1-[[5-[3-(fluoromethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidin-2-one;1-[[4-[3-(fluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]piperidin-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;4-methyl-2-[4-[(2-oxopiperidin-1-yl)methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carbonitrile

1-[[5-[3-(fluoromethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidin-2-one;1-[[4-[3-(fluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]piperidin-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;4-methyl-2-[4-[(2-oxopiperidin-1-yl)methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 158142133) has the molecular formula C92H85F18N13O6 and a molecular weight of 1810.74 g/mol. Its IUPAC name is 1-[[5-[3-(fluoromethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidin-2-one;1-[[4-[3-(fluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]piperidin-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;4-methyl-2-[4-[(2-oxopiperidin-1-yl)methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name1-[[5-[3-(fluoromethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidin-2-one;1-[[4-[3-(fluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]piperidin-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;4-methyl-2-[4-[(2-oxopiperidin-1-yl)methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID158142133
Molecular FormulaC92H85F18N13O6
Molecular Weight1810.74 g/mol
Exact Mass1809.65
IUPAC Name1-[[5-[3-(fluoromethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidin-2-one;1-[[4-[3-(fluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]piperidin-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;4-methyl-2-[4-[(2-oxopiperidin-1-yl)methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCc1cc(C(F)(F)F)nc(-c2ccc(CN3CCCC3=O)nc2)c1CF.Cc1cc(C(F)(F)F)nc(-c2ccc(CN3CCCCC3=O)cc2)c1C#N.O=C1CCCCN1Cc1ccc(-c2nc(C(F)(F)F)ccc2CF)cc1.O=C1CCCN1Cc1ccc(-c2cc(CO)cc(C(F)(F)F)n2)cc1.O=C1CCCN1Cc1ccc(-c2nc(C(F)(F)F)ccc2CF)cn1
InChIInChI=1S/C20H18F3N3O.C19H18F4N2O.C18H17F4N3O.C18H17F3N2O2.C17H15F4N3O/c1-13-10-17(20(21,22)23)25-19(16(13)11-24)15-7-5-14(6-8-15)12-26-9-3-2-4-18(26)27;20-11-15-8-9-16(19(21,22)23)24-18(15)14-6-4-13(5-7-14)12-25-10-2-1-3-17(25)26;1-11-7-15(18(20,21)22)24-17(14(11)8-19)12-4-5-13(23-9-12)10-25-6-2-3-16(25)26;19-18(20,21)16-9-13(11-24)8-15(22-16)14-5-3-12(4-6-14)10-23-7-1-2-17(23)25;18-8-11-4-6-14(17(19,20)21)23-16(11)12-3-5-13(22-9-12)10-24-7-1-2-15(24)25/h5-8,10H,2-4,9,12H2,1H3;4-9H,1-3,10-12H2;4-5,7,9H,2-3,6,8,10H2,1H3;3-6,8-9,24H,1-2,7,10-11H2;3-6,9H,1-2,7-8,10H2
InChIKeyFUBMJYQMUCLPLY-UHFFFAOYSA-N
XLogP20.41
TPSA235.80 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds19
Heavy Atoms129
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001810.74
LogP ≤ 520.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Analyze 1-[[5-[3-(fluoromethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidin-2-one;1-[[4-[3-(fluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]piperidin-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;4-methyl-2-[4-[(2-oxopiperidin-1-yl)methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carbonitrile with MolForge

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Related Compounds

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-oxopiperidin-1-yl)methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carbonitrile;2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 157139933
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
1-[[4-[3-(Hydroxymethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]azepan-2-one;4-[[4-[3-(hydroxymethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]-1,4-oxazepan-5-one;1-[[5-[3-(hydroxymethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidin-2-one;2-[4-[(2-oxopiperidin-1-yl)methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carbonitrile;2-[6-[(2-oxopyrrolidin-1-yl)methyl]-3-pyridinyl]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 157861720
1-[[4-[5-(Fluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;1-[[4-[3-(hydroxymethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]azepan-2-one;4-[[4-[3-(hydroxymethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]-1,4-oxazepan-5-one;1-[[5-[3-(hydroxymethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidin-2-one;2-[6-[(2-oxopyrrolidin-1-yl)methyl]-3-pyridinyl]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 159434384

Frequently Asked Questions

What is the IUPAC name of 1-[[5-[3-(fluoromethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidin-2-one;1-[[4-[3-(fluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]piperidin-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;4-methyl-2-[4-[(2-oxopiperidin-1-yl)methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 1-[[5-[3-(fluoromethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidin-2-one;1-[[4-[3-(fluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]piperidin-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;4-methyl-2-[4-[(2-oxopiperidin-1-yl)methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carbonitrile (CID 158142133) is 1-[[5-[3-(fluoromethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidin-2-one;1-[[4-[3-(fluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]piperidin-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;4-methyl-2-[4-[(2-oxopiperidin-1-yl)methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 1-[[5-[3-(fluoromethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidin-2-one;1-[[4-[3-(fluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]piperidin-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;4-methyl-2-[4-[(2-oxopiperidin-1-yl)methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 1-[[5-[3-(fluoromethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidin-2-one;1-[[4-[3-(fluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]piperidin-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;4-methyl-2-[4-[(2-oxopiperidin-1-yl)methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carbonitrile is Cc1cc(C(F)(F)F)nc(-c2ccc(CN3CCCC3=O)nc2)c1CF.Cc1cc(C(F)(F)F)nc(-c2ccc(CN3CCCCC3=O)cc2)c1C#N.O=C1CCCCN1Cc1ccc(-c2nc(C(F)(F)F)ccc2CF)cc1.O=C1CCCN1Cc1ccc(-c2cc(CO)cc(C(F)(F)F)n2)cc1.O=C1CCCN1Cc1ccc(-c2nc(C(F)(F)F)ccc2CF)cn1.
What is the InChIKey of 1-[[5-[3-(fluoromethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidin-2-one;1-[[4-[3-(fluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]piperidin-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;4-methyl-2-[4-[(2-oxopiperidin-1-yl)methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is FUBMJYQMUCLPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O.C19H18F4N2O.C18H17F4N3O.C18H17F3N2O2.C17H15F4N3O/c1-13-10-17(20(21,22)23)25-19(16(13)11-24)15-7-5-14(6-8-15)12-26-9-3-2-4-18(26)27;20-11-15-8-9-16(19(21,22)23)24-18(15)14-6-4-13(5-7-14)12-25-10-2-1-3-17(25)26;1-11-7-15(18(20,21)22)24-17(14(11)8-19)12-4-5-13(23-9-12)10-25-6-2-3-16(25)26;19-18(20,21)16-9-13(11-24)8-15(22-16)14-5-3-12(4-6-14)10-23-7-1-2-17(23)25;18-8-11-4-6-14(17(19,20)21)23-16(11)12-3-5-13(22-9-12)10-24-7-1-2-15(24)25/h5-8,10H,2-4,9,12H2,1H3;4-9H,1-3,10-12H2;4-5,7,9H,2-3,6,8,10H2,1H3;3-6,8-9,24H,1-2,7,10-11H2;3-6,9H,1-2,7-8,10H2.
What are the key properties of 1-[[5-[3-(fluoromethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidin-2-one;1-[[4-[3-(fluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]piperidin-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;4-methyl-2-[4-[(2-oxopiperidin-1-yl)methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carbonitrile?
1-[[5-[3-(fluoromethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidin-2-one;1-[[4-[3-(fluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]piperidin-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;4-methyl-2-[4-[(2-oxopiperidin-1-yl)methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 1810.74 g/mol, XLogP of 20.41, 19 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-[3-(fluoromethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidin-2-one;1-[[4-[3-(fluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]piperidin-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;4-methyl-2-[4-[(2-oxopiperidin-1-yl)methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 158142133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).