1-(3-fluoroazetidin-1-yl)-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propan-1-one

C21H21FN4O2 — CID 137487865

IUPAC1-(3-fluoroazetidin-1-yl)-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propan-1-one
SMILESO=C(CCc1cccc(COc2ccc(-c3ccn[nH]3)nc2)c1)N1CC(F)C1
InChIInChI=1S/C21H21FN4O2/c22-17-12-26(13-17)21(27)7-4-15-2-1-3-16(10-15)14-28-18-5-6-19(23-11-18)20-8-9-24-25-20/h1-3,5-6,8-11,17H,4,7,12-14H2,(H,24,25)
InChIKeyVZVPIMGEZGVFPF-UHFFFAOYSA-N
MW380.42 g/mol
LogP3.16
Rot. Bonds7

About 1-(3-fluoroazetidin-1-yl)-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propan-1-one

1-(3-fluoroazetidin-1-yl)-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propan-1-one (PubChem CID 137487865) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is 1-(3-fluoroazetidin-1-yl)-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propan-1-one.

Molecular Properties

Compound Name1-(3-fluoroazetidin-1-yl)-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propan-1-one
PubChem CID137487865
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC Name1-(3-fluoroazetidin-1-yl)-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propan-1-one
SMILESO=C(CCc1cccc(COc2ccc(-c3ccn[nH]3)nc2)c1)N1CC(F)C1
InChIInChI=1S/C21H21FN4O2/c22-17-12-26(13-17)21(27)7-4-15-2-1-3-16(10-15)14-28-18-5-6-19(23-11-18)20-8-9-24-25-20/h1-3,5-6,8-11,17H,4,7,12-14H2,(H,24,25)
InChIKeyVZVPIMGEZGVFPF-UHFFFAOYSA-N
XLogP3.16
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3-fluoroazetidin-1-yl)-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propan-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

Cyp4A11/cyp4F2-IN-2
CID 130360508
(16R)-19-amino-13-fluoro-3,5,8,16-tetramethyl-17-oxa-4,8,20-triaza-5-azoniatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaen-9-one
CID 145992021
2-(4-pyrazolo[1,5-b]pyridazin-3-ylphenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyridin-2-yl]ethyl]acetamide
CID 25242540
2-[4-(2-piperidin-1-ylethoxy)phenyl]-4-(1H-pyrazol-5-yl)pyridine
CID 89684547
4-(4-Fluorophenyl)-5-[(1-methylpyrazol-3-yl)methoxy]pyridine-2-carboxamide
CID 122539788
N,N-dimethyl-4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidine-1-carboxamide
CID 130360892
N-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]cyclohexyl]acetamide
CID 130360895
1-[(3S)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]ethanone
CID 155790580
4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzonitrile
CID 155790621
3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzonitrile
CID 155790625
5-[(4-fluorophenyl)methoxy]-2-(1H-pyrazol-5-yl)pyridine
CID 155790628
cyclopropyl-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]methanone
CID 155790650

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoroazetidin-1-yl)-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propan-1-one?
The IUPAC name of 1-(3-fluoroazetidin-1-yl)-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propan-1-one (CID 137487865) is 1-(3-fluoroazetidin-1-yl)-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propan-1-one.
What is the SMILES notation for 1-(3-fluoroazetidin-1-yl)-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propan-1-one?
The canonical SMILES for 1-(3-fluoroazetidin-1-yl)-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propan-1-one is O=C(CCc1cccc(COc2ccc(-c3ccn[nH]3)nc2)c1)N1CC(F)C1.
What is the InChIKey of 1-(3-fluoroazetidin-1-yl)-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propan-1-one?
The InChIKey is VZVPIMGEZGVFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c22-17-12-26(13-17)21(27)7-4-15-2-1-3-16(10-15)14-28-18-5-6-19(23-11-18)20-8-9-24-25-20/h1-3,5-6,8-11,17H,4,7,12-14H2,(H,24,25).
What are the key properties of 1-(3-fluoroazetidin-1-yl)-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propan-1-one?
1-(3-fluoroazetidin-1-yl)-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propan-1-one has a molecular weight of 380.42 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoroazetidin-1-yl)-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propan-1-one is sourced from PubChem (CID 137487865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).