(3-(18F)fluoroazetidin-1-yl)-[1-[4-(4-fluorophenyl)pyrimidin-5-yl]piperidin-4-yl]methanone

C19H20F2N4O — CID 102593937

IUPAC(3-(18F)fluoroazetidin-1-yl)-[1-[4-(4-fluorophenyl)pyrimidin-5-yl]piperidin-4-yl]methanone
SMILESO=C(C1CCN(c2cncnc2-c2ccc(F)cc2)CC1)N1CC([18F])C1
InChIInChI=1S/C19H20F2N4O/c20-15-3-1-13(2-4-15)18-17(9-22-12-23-18)24-7-5-14(6-8-24)19(26)25-10-16(21)11-25/h1-4,9,12,14,16H,5-8,10-11H2/i21-1
InChIKeyUTHXOPCOQREWLE-GJQNQZCXSA-N
MW357.39 g/mol
LogP2.68
Rot. Bonds3

About (3-(18F)fluoroazetidin-1-yl)-[1-[4-(4-fluorophenyl)pyrimidin-5-yl]piperidin-4-yl]methanone

(3-(18F)fluoroazetidin-1-yl)-[1-[4-(4-fluorophenyl)pyrimidin-5-yl]piperidin-4-yl]methanone (PubChem CID 102593937) has the molecular formula C19H20F2N4O and a molecular weight of 357.39 g/mol. Its IUPAC name is (3-(18F)fluoroazetidin-1-yl)-[1-[4-(4-fluorophenyl)pyrimidin-5-yl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name(3-(18F)fluoroazetidin-1-yl)-[1-[4-(4-fluorophenyl)pyrimidin-5-yl]piperidin-4-yl]methanone
PubChem CID102593937
Molecular FormulaC19H20F2N4O
Molecular Weight357.39 g/mol
Exact Mass357.16
IUPAC Name(3-(18F)fluoroazetidin-1-yl)-[1-[4-(4-fluorophenyl)pyrimidin-5-yl]piperidin-4-yl]methanone
SMILESO=C(C1CCN(c2cncnc2-c2ccc(F)cc2)CC1)N1CC([18F])C1
InChIInChI=1S/C19H20F2N4O/c20-15-3-1-13(2-4-15)18-17(9-22-12-23-18)24-7-5-14(6-8-24)19(26)25-10-16(21)11-25/h1-4,9,12,14,16H,5-8,10-11H2/i21-1
InChIKeyUTHXOPCOQREWLE-GJQNQZCXSA-N
XLogP2.68
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[4-(4-fluorophenyl)pyrimidin-5-yl]piperidin-4-yl]-[(3R)-3-methoxypyrrolidin-1-yl]methanone
CID 118450401
(3,3-difluoroazetidin-1-yl)-[3-[4-(4-fluorophenyl)pyrimidin-5-yl]-3-azabicyclo[3.1.0]hexan-6-yl]methanone
CID 140797795
[1-(5-aminopyridazin-4-yl)piperidin-4-yl]-(3-fluoroazetidin-1-yl)methanone
CID 118434107
1-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 46359387
morpholin-4-yl-[1-(4-pyrrolidin-1-ylpyrimidin-5-yl)piperidin-4-yl]methanone
CID 53165660
4-phenyl-5-piperazin-1-ylpyrimidine
CID 59511159
1-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide
CID 20922540
[4-(4-fluorophenyl)piperazin-1-yl]-[1-(2-fluorophenyl)piperidin-4-yl]methanone
CID 17152590
azepan-1-yl-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]methanone
CID 91952386
[4-(4-fluorophenyl)piperazin-1-yl]-(1-phenylpiperidin-4-yl)methanone
CID 17152277
cyclopropyl-[4-[(2R)-2-(4-fluorophenyl)azetidine-1-carbonyl]piperidin-1-yl]methanone
CID 97149488
1-[4-(4-fluorophenyl)pyrimidin-5-yl]-2,2-dimethylpropan-1-one
CID 117063432

Frequently Asked Questions

What is the IUPAC name of (3-(18F)fluoroazetidin-1-yl)-[1-[4-(4-fluorophenyl)pyrimidin-5-yl]piperidin-4-yl]methanone?
The IUPAC name of (3-(18F)fluoroazetidin-1-yl)-[1-[4-(4-fluorophenyl)pyrimidin-5-yl]piperidin-4-yl]methanone (CID 102593937) is (3-(18F)fluoroazetidin-1-yl)-[1-[4-(4-fluorophenyl)pyrimidin-5-yl]piperidin-4-yl]methanone.
What is the SMILES notation for (3-(18F)fluoroazetidin-1-yl)-[1-[4-(4-fluorophenyl)pyrimidin-5-yl]piperidin-4-yl]methanone?
The canonical SMILES for (3-(18F)fluoroazetidin-1-yl)-[1-[4-(4-fluorophenyl)pyrimidin-5-yl]piperidin-4-yl]methanone is O=C(C1CCN(c2cncnc2-c2ccc(F)cc2)CC1)N1CC([18F])C1.
What is the InChIKey of (3-(18F)fluoroazetidin-1-yl)-[1-[4-(4-fluorophenyl)pyrimidin-5-yl]piperidin-4-yl]methanone?
The InChIKey is UTHXOPCOQREWLE-GJQNQZCXSA-N. The full InChI is InChI=1S/C19H20F2N4O/c20-15-3-1-13(2-4-15)18-17(9-22-12-23-18)24-7-5-14(6-8-24)19(26)25-10-16(21)11-25/h1-4,9,12,14,16H,5-8,10-11H2/i21-1.
What are the key properties of (3-(18F)fluoroazetidin-1-yl)-[1-[4-(4-fluorophenyl)pyrimidin-5-yl]piperidin-4-yl]methanone?
(3-(18F)fluoroazetidin-1-yl)-[1-[4-(4-fluorophenyl)pyrimidin-5-yl]piperidin-4-yl]methanone has a molecular weight of 357.39 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-(18F)fluoroazetidin-1-yl)-[1-[4-(4-fluorophenyl)pyrimidin-5-yl]piperidin-4-yl]methanone is sourced from PubChem (CID 102593937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).