3-cyclopropyl-1-[5-(1-fluorocyclobutyl)-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)butan-1-one

C21H23F4N3O3 — CID 158116709

IUPAC3-cyclopropyl-1-[5-(1-fluorocyclobutyl)-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)butan-1-one
SMILESCc1nc(C(C)(CC(=O)c2cc(OCC(F)(F)F)c(C3(F)CCC3)cn2)C2CC2)no1
InChIInChI=1S/C21H23F4N3O3/c1-12-27-18(28-31-12)19(2,13-4-5-13)9-16(29)15-8-17(30-11-21(23,24)25)14(10-26-15)20(22)6-3-7-20/h8,10,13H,3-7,9,11H2,1-2H3
InChIKeyFRCFKJDKRUXBRW-UHFFFAOYSA-N
MW441.43 g/mol
LogP5.00
Rot. Bonds8

About 3-cyclopropyl-1-[5-(1-fluorocyclobutyl)-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)butan-1-one

3-cyclopropyl-1-[5-(1-fluorocyclobutyl)-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)butan-1-one (PubChem CID 158116709) has the molecular formula C21H23F4N3O3 and a molecular weight of 441.43 g/mol. Its IUPAC name is 3-cyclopropyl-1-[5-(1-fluorocyclobutyl)-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)butan-1-one.

Molecular Properties

Compound Name3-cyclopropyl-1-[5-(1-fluorocyclobutyl)-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)butan-1-one
PubChem CID158116709
Molecular FormulaC21H23F4N3O3
Molecular Weight441.43 g/mol
Exact Mass441.17
IUPAC Name3-cyclopropyl-1-[5-(1-fluorocyclobutyl)-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)butan-1-one
SMILESCc1nc(C(C)(CC(=O)c2cc(OCC(F)(F)F)c(C3(F)CCC3)cn2)C2CC2)no1
InChIInChI=1S/C21H23F4N3O3/c1-12-27-18(28-31-12)19(2,13-4-5-13)9-16(29)15-8-17(30-11-21(23,24)25)14(10-26-15)20(22)6-3-7-20/h8,10,13H,3-7,9,11H2,1-2H3
InChIKeyFRCFKJDKRUXBRW-UHFFFAOYSA-N
XLogP5.00
TPSA78.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.43
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-cyclopropyl-1-[5-(1-fluorocyclobutyl)-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)butan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-4-cyclopropyl-1-[5-(3,3-difluoroazetidin-1-yl)-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]-3-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)butan-1-one
CID 148645593
1-[5-cyclopropyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]-4-(3,3-difluoroazetidin-1-yl)-3-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)butan-1-one
CID 146793385
5-(3-fluorooxetan-3-yl)-N-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-methylsulfonylpropan-2-yl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 90203246
1-[5-cyclopropyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]-3-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-4-phenylmethoxybutan-1-one
CID 146915662
5-(1-fluorocyclobutyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-methylsulfonylpropan-2-yl]-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide
CID 90204321
5-chloro-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid;N-[(1S)-1-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]decan-1-amine
CID 158419236
5-cyclopropyl-N-[1-cyclopropyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 90214915
5-(1-fluorocyclobutyl)-N-[3-[2-(methylamino)-2-oxoethyl]-1-methylidene-1-oxothietan-3-yl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 163726869
N-[(1R)-1-cyclopropyl-1-(5-methyl-1H-pyrazol-3-yl)ethyl]-5-(3-fluorooxetan-3-yl)-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 141483729
5-cyclopropyl-2-methyl-4-(2,2,2-trifluoroethoxy)pyridine;N-[1-hydroxy-2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]formamide
CID 144638470
5-(3,3-difluoroazetidin-1-yl)-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid;N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-methylsulfonylpropan-2-yl]decan-1-amine
CID 158031524
5-cyclobutyl-3-[(2R)-1-cyclopropyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 142794309

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-[5-(1-fluorocyclobutyl)-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)butan-1-one?
The IUPAC name of 3-cyclopropyl-1-[5-(1-fluorocyclobutyl)-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)butan-1-one (CID 158116709) is 3-cyclopropyl-1-[5-(1-fluorocyclobutyl)-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)butan-1-one.
What is the SMILES notation for 3-cyclopropyl-1-[5-(1-fluorocyclobutyl)-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)butan-1-one?
The canonical SMILES for 3-cyclopropyl-1-[5-(1-fluorocyclobutyl)-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)butan-1-one is Cc1nc(C(C)(CC(=O)c2cc(OCC(F)(F)F)c(C3(F)CCC3)cn2)C2CC2)no1.
What is the InChIKey of 3-cyclopropyl-1-[5-(1-fluorocyclobutyl)-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)butan-1-one?
The InChIKey is FRCFKJDKRUXBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F4N3O3/c1-12-27-18(28-31-12)19(2,13-4-5-13)9-16(29)15-8-17(30-11-21(23,24)25)14(10-26-15)20(22)6-3-7-20/h8,10,13H,3-7,9,11H2,1-2H3.
What are the key properties of 3-cyclopropyl-1-[5-(1-fluorocyclobutyl)-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)butan-1-one?
3-cyclopropyl-1-[5-(1-fluorocyclobutyl)-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)butan-1-one has a molecular weight of 441.43 g/mol, XLogP of 5.00, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-[5-(1-fluorocyclobutyl)-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)butan-1-one is sourced from PubChem (CID 158116709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).