1-[4-[5-[4-(3,3-difluoropyrrolidin-1-yl)-5-fluoro-2-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]propan-1-one

C19H22F3N5O2 — CID 160843869

IUPAC1-[4-[5-[4-(3,3-difluoropyrrolidin-1-yl)-5-fluoro-2-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(c2noc(-c3cc(N4CCC(F)(F)C4)c(F)cn3)n2)CC1
InChIInChI=1S/C19H22F3N5O2/c1-2-16(28)26-6-3-12(4-7-26)17-24-18(29-25-17)14-9-15(13(20)10-23-14)27-8-5-19(21,22)11-27/h9-10,12H,2-8,11H2,1H3
InChIKeySIJPHMYHZNRXQW-UHFFFAOYSA-N
MW409.41 g/mol
LogP3.23
Rot. Bonds4

About 1-[4-[5-[4-(3,3-difluoropyrrolidin-1-yl)-5-fluoro-2-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]propan-1-one

1-[4-[5-[4-(3,3-difluoropyrrolidin-1-yl)-5-fluoro-2-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]propan-1-one (PubChem CID 160843869) has the molecular formula C19H22F3N5O2 and a molecular weight of 409.41 g/mol. Its IUPAC name is 1-[4-[5-[4-(3,3-difluoropyrrolidin-1-yl)-5-fluoro-2-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-[5-[4-(3,3-difluoropyrrolidin-1-yl)-5-fluoro-2-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]propan-1-one
PubChem CID160843869
Molecular FormulaC19H22F3N5O2
Molecular Weight409.41 g/mol
Exact Mass409.17
IUPAC Name1-[4-[5-[4-(3,3-difluoropyrrolidin-1-yl)-5-fluoro-2-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(c2noc(-c3cc(N4CCC(F)(F)C4)c(F)cn3)n2)CC1
InChIInChI=1S/C19H22F3N5O2/c1-2-16(28)26-6-3-12(4-7-26)17-24-18(29-25-17)14-9-15(13(20)10-23-14)27-8-5-19(21,22)11-27/h9-10,12H,2-8,11H2,1H3
InChIKeySIJPHMYHZNRXQW-UHFFFAOYSA-N
XLogP3.23
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.41
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[5-[2-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 137439369
cyclobutyl-[4-[5-[2-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 155066698
5,5-dimethyl-3-[2-[4-[5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-oxoethyl]oxolan-2-one
CID 110221184
2-(2-fluorophenyl)-1-[3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone
CID 91915243
1-[4-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propan-1-one
CID 46096475
1-[4-[2-amino-6-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]piperidin-1-yl]ethanone
CID 167499994
1-[4-[5-(2-fluoro-3-morpholin-4-ylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 137439351
(1-fluorocyclobutyl)-[4-[5-[2-(oxolan-3-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 137439601
N-[1-(4-fluorophenyl)-3-oxo-3-[4-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]propyl]acetamide
CID 110233860
3-methyl-1-[4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one
CID 91918755
(3,4-difluorophenyl)-[3-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 68967446
1-[4-[5-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-methoxyethanone
CID 157026330

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-[4-(3,3-difluoropyrrolidin-1-yl)-5-fluoro-2-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[4-[5-[4-(3,3-difluoropyrrolidin-1-yl)-5-fluoro-2-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]propan-1-one (CID 160843869) is 1-[4-[5-[4-(3,3-difluoropyrrolidin-1-yl)-5-fluoro-2-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-[5-[4-(3,3-difluoropyrrolidin-1-yl)-5-fluoro-2-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-[5-[4-(3,3-difluoropyrrolidin-1-yl)-5-fluoro-2-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]propan-1-one is CCC(=O)N1CCC(c2noc(-c3cc(N4CCC(F)(F)C4)c(F)cn3)n2)CC1.
What is the InChIKey of 1-[4-[5-[4-(3,3-difluoropyrrolidin-1-yl)-5-fluoro-2-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]propan-1-one?
The InChIKey is SIJPHMYHZNRXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N5O2/c1-2-16(28)26-6-3-12(4-7-26)17-24-18(29-25-17)14-9-15(13(20)10-23-14)27-8-5-19(21,22)11-27/h9-10,12H,2-8,11H2,1H3.
What are the key properties of 1-[4-[5-[4-(3,3-difluoropyrrolidin-1-yl)-5-fluoro-2-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]propan-1-one?
1-[4-[5-[4-(3,3-difluoropyrrolidin-1-yl)-5-fluoro-2-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]propan-1-one has a molecular weight of 409.41 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-[4-(3,3-difluoropyrrolidin-1-yl)-5-fluoro-2-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 160843869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).