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

C21H23F5N4O3 — CID 146793385

IUPAC1-[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
SMILESCc1nc(C(C)(CC(=O)c2cc(OCC(F)(F)F)c(C3CC3)cn2)CN2CC(F)(F)C2)no1
InChIInChI=1S/C21H23F5N4O3/c1-12-28-18(29-33-12)19(2,8-30-9-20(22,23)10-30)6-16(31)15-5-17(32-11-21(24,25)26)14(7-27-15)13-3-4-13/h5,7,13H,3-4,6,8-11H2,1-2H3
InChIKeyRWGQSWSFPIBWCX-UHFFFAOYSA-N
MW474.43 g/mol
LogP4.07
Rot. Bonds9

About 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

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 (PubChem CID 146793385) has the molecular formula C21H23F5N4O3 and a molecular weight of 474.43 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID146793385
Molecular FormulaC21H23F5N4O3
Molecular Weight474.43 g/mol
Exact Mass474.17
IUPAC Name1-[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
SMILESCc1nc(C(C)(CC(=O)c2cc(OCC(F)(F)F)c(C3CC3)cn2)CN2CC(F)(F)C2)no1
InChIInChI=1S/C21H23F5N4O3/c1-12-28-18(29-33-12)19(2,8-30-9-20(22,23)10-30)6-16(31)15-5-17(32-11-21(24,25)26)14(7-27-15)13-3-4-13/h5,7,13H,3-4,6,8-11H2,1-2H3
InChIKeyRWGQSWSFPIBWCX-UHFFFAOYSA-N
XLogP4.07
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.43
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

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
(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
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
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
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
tert-butyl 2-(cyclopropylmethyl)-4-[5-cyclopropyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]-2-methyl-4-oxobutanoate
CID 158986571
5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid;2-methylpropan-2-amine
CID 158536635
N-tert-butyl-5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 90204122
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
N-[(2S)-4-amino-2-cyclopropyl-4-oxobutan-2-yl]-5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 90205070
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
tert-butyl 3-cyclopropyl-3-[[5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]amino]butanoate
CID 90203437

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nc(C(C)(CC(=O)c2cc(OCC(F)(F)F)c(C3CC3)cn2)CN2CC(F)(F)C2)no1.
What is the InChIKey of 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?
The InChIKey is RWGQSWSFPIBWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F5N4O3/c1-12-28-18(29-33-12)19(2,8-30-9-20(22,23)10-30)6-16(31)15-5-17(32-11-21(24,25)26)14(7-27-15)13-3-4-13/h5,7,13H,3-4,6,8-11H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 474.43 g/mol, XLogP of 4.07, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 146793385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).