(3-fluoroazetidin-1-yl)-[(2S,4S)-4-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]pyrrolidin-2-yl]methanone

C18H23FN6O2 — CID 68810867

IUPAC(3-fluoroazetidin-1-yl)-[(2S,4S)-4-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]pyrrolidin-2-yl]methanone
SMILESO=C([C@@H]1C[C@H](N2CCN(c3nc4cccnc4o3)CC2)CN1)N1CC(F)C1
InChIInChI=1S/C18H23FN6O2/c19-12-10-25(11-12)17(26)15-8-13(9-21-15)23-4-6-24(7-5-23)18-22-14-2-1-3-20-16(14)27-18/h1-3,12-13,15,21H,4-11H2/t13-,15-/m0/s1
InChIKeyABBMGZCGZAVZTC-ZFWWWQNUSA-N
MW374.42 g/mol
LogP0.26
Rot. Bonds3

About (3-fluoroazetidin-1-yl)-[(2S,4S)-4-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]pyrrolidin-2-yl]methanone

(3-fluoroazetidin-1-yl)-[(2S,4S)-4-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]pyrrolidin-2-yl]methanone (PubChem CID 68810867) has the molecular formula C18H23FN6O2 and a molecular weight of 374.42 g/mol. Its IUPAC name is (3-fluoroazetidin-1-yl)-[(2S,4S)-4-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]pyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name(3-fluoroazetidin-1-yl)-[(2S,4S)-4-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]pyrrolidin-2-yl]methanone
PubChem CID68810867
Molecular FormulaC18H23FN6O2
Molecular Weight374.42 g/mol
Exact Mass374.19
IUPAC Name(3-fluoroazetidin-1-yl)-[(2S,4S)-4-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]pyrrolidin-2-yl]methanone
SMILESO=C([C@@H]1C[C@H](N2CCN(c3nc4cccnc4o3)CC2)CN1)N1CC(F)C1
InChIInChI=1S/C18H23FN6O2/c19-12-10-25(11-12)17(26)15-8-13(9-21-15)23-4-6-24(7-5-23)18-22-14-2-1-3-20-16(14)27-18/h1-3,12-13,15,21H,4-11H2/t13-,15-/m0/s1
InChIKeyABBMGZCGZAVZTC-ZFWWWQNUSA-N
XLogP0.26
TPSA77.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3-fluoroazetidin-1-yl)-[(2S,4S)-4-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]pyrrolidin-2-yl]methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-fluoroazetidin-1-yl)-[(2S,4S)-4-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]pyrrolidin-2-yl]methanone?
The IUPAC name of (3-fluoroazetidin-1-yl)-[(2S,4S)-4-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]pyrrolidin-2-yl]methanone (CID 68810867) is (3-fluoroazetidin-1-yl)-[(2S,4S)-4-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]pyrrolidin-2-yl]methanone.
What is the SMILES notation for (3-fluoroazetidin-1-yl)-[(2S,4S)-4-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]pyrrolidin-2-yl]methanone?
The canonical SMILES for (3-fluoroazetidin-1-yl)-[(2S,4S)-4-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]pyrrolidin-2-yl]methanone is O=C([C@@H]1C[C@H](N2CCN(c3nc4cccnc4o3)CC2)CN1)N1CC(F)C1.
What is the InChIKey of (3-fluoroazetidin-1-yl)-[(2S,4S)-4-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]pyrrolidin-2-yl]methanone?
The InChIKey is ABBMGZCGZAVZTC-ZFWWWQNUSA-N. The full InChI is InChI=1S/C18H23FN6O2/c19-12-10-25(11-12)17(26)15-8-13(9-21-15)23-4-6-24(7-5-23)18-22-14-2-1-3-20-16(14)27-18/h1-3,12-13,15,21H,4-11H2/t13-,15-/m0/s1.
What are the key properties of (3-fluoroazetidin-1-yl)-[(2S,4S)-4-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]pyrrolidin-2-yl]methanone?
(3-fluoroazetidin-1-yl)-[(2S,4S)-4-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]pyrrolidin-2-yl]methanone has a molecular weight of 374.42 g/mol, XLogP of 0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoroazetidin-1-yl)-[(2S,4S)-4-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]pyrrolidin-2-yl]methanone is sourced from PubChem (CID 68810867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).