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

C20H25F2N5O2 — CID 137439369

IUPAC1-[4-[5-[2-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCC(c2noc(-c3ccnc(N4CCC(F)(F)C4)c3)n2)CC1
InChIInChI=1S/C20H25F2N5O2/c1-13(2)19(28)26-8-4-14(5-9-26)17-24-18(29-25-17)15-3-7-23-16(11-15)27-10-6-20(21,22)12-27/h3,7,11,13-14H,4-6,8-10,12H2,1-2H3
InChIKeyDETXJIIDHHEZCK-UHFFFAOYSA-N
MW405.45 g/mol
LogP3.34
Rot. Bonds4

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

1-[4-[5-[2-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-methylpropan-1-one (PubChem CID 137439369) has the molecular formula C20H25F2N5O2 and a molecular weight of 405.45 g/mol. Its IUPAC name is 1-[4-[5-[2-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-[5-[2-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-methylpropan-1-one
PubChem CID137439369
Molecular FormulaC20H25F2N5O2
Molecular Weight405.45 g/mol
Exact Mass405.20
IUPAC Name1-[4-[5-[2-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCC(c2noc(-c3ccnc(N4CCC(F)(F)C4)c3)n2)CC1
InChIInChI=1S/C20H25F2N5O2/c1-13(2)19(28)26-8-4-14(5-9-26)17-24-18(29-25-17)15-3-7-23-16(11-15)27-10-6-20(21,22)12-27/h3,7,11,13-14H,4-6,8-10,12H2,1-2H3
InChIKeyDETXJIIDHHEZCK-UHFFFAOYSA-N
XLogP3.34
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-[5-[2-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-methylpropan-1-one with MolForge

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Related Compounds

cyclobutyl-[4-[5-[2-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 155066698
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
(1-fluorocyclobutyl)-[4-[5-[2-(oxolan-3-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 137439601
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-methylcyclopropyl) 4-[5-(2-cyclopentyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
CID 142573575
2-methyl-1-[4-[5-[1-(oxetan-3-yl)pyrazolo[4,5-b]pyridin-6-yl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]propan-1-one
CID 137439694
(1-methylcyclopropyl) 4-[5-[2-(1-methylpyrazol-3-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
CID 137439638
(2S)-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidine-2-carboxylic acid
CID 122059747
methyl 4-[5-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
CID 159553532
ethyl 4-[5-[2-[(3R)-oxolan-3-yl]-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
CID 137439372
methyl 4-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperazine-1-carboxylate
CID 133319821
5-[2-(2,8-diazaspiro[4.5]decan-2-yl)-4-pyridinyl]-3-methyl-1,2,4-oxadiazole
CID 56713734

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-[2-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 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) is 1-[4-[5-[2-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-[5-[2-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-[5-[2-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-methylpropan-1-one is CC(C)C(=O)N1CCC(c2noc(-c3ccnc(N4CCC(F)(F)C4)c3)n2)CC1.
What is the InChIKey of 1-[4-[5-[2-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is DETXJIIDHHEZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F2N5O2/c1-13(2)19(28)26-8-4-14(5-9-26)17-24-18(29-25-17)15-3-7-23-16(11-15)27-10-6-20(21,22)12-27/h3,7,11,13-14H,4-6,8-10,12H2,1-2H3.
What are the key properties of 1-[4-[5-[2-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-methylpropan-1-one?
1-[4-[5-[2-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 405.45 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-[2-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 137439369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).