6-[5-[1-(3-methyl-4-pyridinyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one;2,2,2-trifluoroacetic acid

C20H20F3N5O4 — CID 166252671

IUPAC6-[5-[1-(3-methyl-4-pyridinyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one;2,2,2-trifluoroacetic acid
SMILESCc1cnccc1N1CCC(c2nc(-c3cccc(=O)[nH]3)no2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H19N5O2.C2HF3O2/c1-12-11-19-8-5-15(12)23-9-6-13(7-10-23)18-21-17(22-25-18)14-3-2-4-16(24)20-14;3-2(4,5)1(6)7/h2-5,8,11,13H,6-7,9-10H2,1H3,(H,20,24);(H,6,7)
InChIKeyMWGRWMHOOSGHED-UHFFFAOYSA-N
MW451.41 g/mol
LogP3.15
Rot. Bonds3

About 6-[5-[1-(3-methyl-4-pyridinyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one;2,2,2-trifluoroacetic acid

6-[5-[1-(3-methyl-4-pyridinyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one;2,2,2-trifluoroacetic acid (PubChem CID 166252671) has the molecular formula C20H20F3N5O4 and a molecular weight of 451.41 g/mol. Its IUPAC name is 6-[5-[1-(3-methyl-4-pyridinyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name6-[5-[1-(3-methyl-4-pyridinyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one;2,2,2-trifluoroacetic acid
PubChem CID166252671
Molecular FormulaC20H20F3N5O4
Molecular Weight451.41 g/mol
Exact Mass451.15
IUPAC Name6-[5-[1-(3-methyl-4-pyridinyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one;2,2,2-trifluoroacetic acid
SMILESCc1cnccc1N1CCC(c2nc(-c3cccc(=O)[nH]3)no2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H19N5O2.C2HF3O2/c1-12-11-19-8-5-15(12)23-9-6-13(7-10-23)18-21-17(22-25-18)14-3-2-4-16(24)20-14;3-2(4,5)1(6)7/h2-5,8,11,13H,6-7,9-10H2,1H3,(H,20,24);(H,6,7)
InChIKeyMWGRWMHOOSGHED-UHFFFAOYSA-N
XLogP3.15
TPSA125.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.41
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[5-[1-(3-methyl-4-pyridinyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

N-(3-methylphenyl)-2-[5-[1-(3-methyl-4-pyridinyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]acetamide;2,2,2-trifluoroacetic acid
CID 167991794
3-methyl-4-(4-phenylpiperidin-1-yl)pyridine
CID 137318862
6-[5-(1-benzylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one
CID 126834888
tert-butyl (2R)-2-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]pyrrolidine-1-carboxylate;2,2,2-trifluoroacetic acid
CID 117073543
N-ethyl-4-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpiperidine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 44628365
[4-(3-methyl-4-pyridinyl)piperazin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone;2,2,2-trifluoroacetic acid
CID 154887424
5-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole;bis(2,2,2-trifluoroacetic acid)
CID 117074418
6-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-6-methyl-3,4-dihydro-1H-2,7-naphthyridine-2-carbonyl]-1H-pyridin-2-one
CID 29084262
4-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 136990360
2-[4-[3-[3-[(dimethylamino)methyl]-4-fluorophenyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]quinolin-8-ol;2,2,2-trifluoroacetic acid
CID 166224909
5-cyclopropyl-3-(1H-pyrrol-2-yl)-1,2,4-oxadiazole
CID 141133927
N-phenyl-4-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 167839568

Frequently Asked Questions

What is the IUPAC name of 6-[5-[1-(3-methyl-4-pyridinyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one;2,2,2-trifluoroacetic acid?
The IUPAC name of 6-[5-[1-(3-methyl-4-pyridinyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one;2,2,2-trifluoroacetic acid (CID 166252671) is 6-[5-[1-(3-methyl-4-pyridinyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 6-[5-[1-(3-methyl-4-pyridinyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for 6-[5-[1-(3-methyl-4-pyridinyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one;2,2,2-trifluoroacetic acid is Cc1cnccc1N1CCC(c2nc(-c3cccc(=O)[nH]3)no2)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of 6-[5-[1-(3-methyl-4-pyridinyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one;2,2,2-trifluoroacetic acid?
The InChIKey is MWGRWMHOOSGHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2.C2HF3O2/c1-12-11-19-8-5-15(12)23-9-6-13(7-10-23)18-21-17(22-25-18)14-3-2-4-16(24)20-14;3-2(4,5)1(6)7/h2-5,8,11,13H,6-7,9-10H2,1H3,(H,20,24);(H,6,7).
What are the key properties of 6-[5-[1-(3-methyl-4-pyridinyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one;2,2,2-trifluoroacetic acid?
6-[5-[1-(3-methyl-4-pyridinyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one;2,2,2-trifluoroacetic acid has a molecular weight of 451.41 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[1-(3-methyl-4-pyridinyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 166252671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).