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

C35H31F8N5O2 — CID 153337826

IUPAC1-[[4-[3-(fluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;1-[[4-[5-(fluoromethyl)-2-(trifluoromethyl)pyrimidin-4-yl]phenyl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1Cc1ccc(-c2nc(C(F)(F)F)ccc2CF)cc1.O=C1CCCN1Cc1ccc(-c2nc(C(F)(F)F)ncc2CF)cc1
InChIInChI=1S/C18H16F4N2O.C17H15F4N3O/c19-10-14-7-8-15(18(20,21)22)23-17(14)13-5-3-12(4-6-13)11-24-9-1-2-16(24)25;18-8-13-9-22-16(17(19,20)21)23-15(13)12-5-3-11(4-6-12)10-24-7-1-2-14(24)25/h3-8H,1-2,9-11H2;3-6,9H,1-2,7-8,10H2
InChIKeyPYNYCIMZUKDBKL-UHFFFAOYSA-N
MW705.65 g/mol
LogP8.11
Rot. Bonds8

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

1-[[4-[3-(fluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;1-[[4-[5-(fluoromethyl)-2-(trifluoromethyl)pyrimidin-4-yl]phenyl]methyl]pyrrolidin-2-one (PubChem CID 153337826) has the molecular formula C35H31F8N5O2 and a molecular weight of 705.65 g/mol. Its IUPAC name is 1-[[4-[3-(fluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;1-[[4-[5-(fluoromethyl)-2-(trifluoromethyl)pyrimidin-4-yl]phenyl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[4-[3-(fluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;1-[[4-[5-(fluoromethyl)-2-(trifluoromethyl)pyrimidin-4-yl]phenyl]methyl]pyrrolidin-2-one
PubChem CID153337826
Molecular FormulaC35H31F8N5O2
Molecular Weight705.65 g/mol
Exact Mass705.24
IUPAC Name1-[[4-[3-(fluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;1-[[4-[5-(fluoromethyl)-2-(trifluoromethyl)pyrimidin-4-yl]phenyl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1Cc1ccc(-c2nc(C(F)(F)F)ccc2CF)cc1.O=C1CCCN1Cc1ccc(-c2nc(C(F)(F)F)ncc2CF)cc1
InChIInChI=1S/C18H16F4N2O.C17H15F4N3O/c19-10-14-7-8-15(18(20,21)22)23-17(14)13-5-3-12(4-6-13)11-24-9-1-2-16(24)25;18-8-13-9-22-16(17(19,20)21)23-15(13)12-5-3-11(4-6-12)10-24-7-1-2-14(24)25/h3-8H,1-2,9-11H2;3-6,9H,1-2,7-8,10H2
InChIKeyPYNYCIMZUKDBKL-UHFFFAOYSA-N
XLogP8.11
TPSA79.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.65
LogP ≤ 58.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-[4-(4-Fluorophenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 71585613
2-[4-(4-Methylphenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 71585614
2-[4-(4-Fluoro-3,5-dimethylphenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 71585719
2-[4-(4-Fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 71586584
2-[4-(4-Fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]-1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone
CID 71586684
1-(3-Fluoro-5-(2-methylpyridin-3-yl)phenyl)-4-(4-(pyrimidin-2-yl)piperazin-1-yl)pyrrolidin-2-one
CID 118196651
(R)-1-(3-fluoro-5-(2-methylpyridin-3-yl)phenyl)-4-(4-(pyrimidin-2-yl)piperazin-1-yl)pyrrolidin-2-one
CID 118196675
1-[3-(2-Fluoro-3-pyridinyl)phenyl]-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrolidin-2-one
CID 166636321
(4-Phenylphenyl)-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone
CID 15951185
4-{5-[(5-Fluoro-2-pyrimidin-2-ylphenyl)carbonyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl}-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 52917752
2-[(5-Fluoro-2-pyrimidin-2-ylphenyl)carbonyl]-5-(4-phenylpyrimidin-2-yl)octahydropyrrolo[3,4-c]pyrrole
CID 52917816
1-[4-[5-(4-Fluorophenyl)-2-pyrimidin-2-ylpyrazol-3-yl]piperidin-1-yl]-2-[2-(trifluoromethyl)phenyl]ethanone
CID 54597251

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[3-(fluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;1-[[4-[5-(fluoromethyl)-2-(trifluoromethyl)pyrimidin-4-yl]phenyl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[4-[3-(fluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;1-[[4-[5-(fluoromethyl)-2-(trifluoromethyl)pyrimidin-4-yl]phenyl]methyl]pyrrolidin-2-one (CID 153337826) is 1-[[4-[3-(fluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;1-[[4-[5-(fluoromethyl)-2-(trifluoromethyl)pyrimidin-4-yl]phenyl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[4-[3-(fluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;1-[[4-[5-(fluoromethyl)-2-(trifluoromethyl)pyrimidin-4-yl]phenyl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[4-[3-(fluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;1-[[4-[5-(fluoromethyl)-2-(trifluoromethyl)pyrimidin-4-yl]phenyl]methyl]pyrrolidin-2-one is O=C1CCCN1Cc1ccc(-c2nc(C(F)(F)F)ccc2CF)cc1.O=C1CCCN1Cc1ccc(-c2nc(C(F)(F)F)ncc2CF)cc1.
What is the InChIKey of 1-[[4-[3-(fluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;1-[[4-[5-(fluoromethyl)-2-(trifluoromethyl)pyrimidin-4-yl]phenyl]methyl]pyrrolidin-2-one?
The InChIKey is PYNYCIMZUKDBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F4N2O.C17H15F4N3O/c19-10-14-7-8-15(18(20,21)22)23-17(14)13-5-3-12(4-6-13)11-24-9-1-2-16(24)25;18-8-13-9-22-16(17(19,20)21)23-15(13)12-5-3-11(4-6-12)10-24-7-1-2-14(24)25/h3-8H,1-2,9-11H2;3-6,9H,1-2,7-8,10H2.
What are the key properties of 1-[[4-[3-(fluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;1-[[4-[5-(fluoromethyl)-2-(trifluoromethyl)pyrimidin-4-yl]phenyl]methyl]pyrrolidin-2-one?
1-[[4-[3-(fluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;1-[[4-[5-(fluoromethyl)-2-(trifluoromethyl)pyrimidin-4-yl]phenyl]methyl]pyrrolidin-2-one has a molecular weight of 705.65 g/mol, XLogP of 8.11, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[3-(fluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;1-[[4-[5-(fluoromethyl)-2-(trifluoromethyl)pyrimidin-4-yl]phenyl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 153337826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).