[3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone

C14H15ClN4O3 — CID 122248430

IUPAC[3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone
SMILESCOc1nn(C)cc1C(=O)N1CC(Oc2ccc(Cl)cn2)C1
InChIInChI=1S/C14H15ClN4O3/c1-18-8-11(13(17-18)21-2)14(20)19-6-10(7-19)22-12-4-3-9(15)5-16-12/h3-5,8,10H,6-7H2,1-2H3
InChIKeyHTRBJKQNLWLHQD-UHFFFAOYSA-N
MW322.75 g/mol
LogP1.38
Rot. Bonds4

About [3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone

[3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone (PubChem CID 122248430) has the molecular formula C14H15ClN4O3 and a molecular weight of 322.75 g/mol. Its IUPAC name is [3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone
PubChem CID122248430
Molecular FormulaC14H15ClN4O3
Molecular Weight322.75 g/mol
Exact Mass322.08
IUPAC Name[3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone
SMILESCOc1nn(C)cc1C(=O)N1CC(Oc2ccc(Cl)cn2)C1
InChIInChI=1S/C14H15ClN4O3/c1-18-8-11(13(17-18)21-2)14(20)19-6-10(7-19)22-12-4-3-9(15)5-16-12/h3-5,8,10H,6-7H2,1-2H3
InChIKeyHTRBJKQNLWLHQD-UHFFFAOYSA-N
XLogP1.38
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.75
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(3-methoxy-1-methylpyrazol-4-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

Related Compounds

[3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(2-methylphenyl)methanone
CID 122248288
[3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(4-ethoxyphenyl)methanone
CID 122248298
(5-chloro-2-nitrophenyl)-[3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]methanone
CID 122248331
N-(5-chloro-2-pyridinyl)-1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidine-4-carboxamide
CID 166251824
(3-methoxy-1-methylpyrazol-4-yl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 91626657
3-[(5-chloro-2-pyridinyl)oxy]-N-[(4-methoxyphenyl)methyl]azetidine-1-carboxamide
CID 122248507
[(3S,5S)-3,5-dimethylpiperidin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone
CID 40805287
2-(4-chlorophenoxy)-1-[3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]ethanone
CID 122248347
[3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone
CID 122248470
4-chloro-1-[3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]butan-1-one
CID 122248284
(3-methoxy-1-methylpyrazol-4-yl)-(3-quinolin-2-yloxypyrrolidin-1-yl)methanone
CID 91815847
1-[3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 122248358

Frequently Asked Questions

What is the IUPAC name of [3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone?
The IUPAC name of [3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone (CID 122248430) is [3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone.
What is the SMILES notation for [3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone?
The canonical SMILES for [3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone is COc1nn(C)cc1C(=O)N1CC(Oc2ccc(Cl)cn2)C1.
What is the InChIKey of [3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone?
The InChIKey is HTRBJKQNLWLHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O3/c1-18-8-11(13(17-18)21-2)14(20)19-6-10(7-19)22-12-4-3-9(15)5-16-12/h3-5,8,10H,6-7H2,1-2H3.
What are the key properties of [3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone?
[3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone has a molecular weight of 322.75 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone is sourced from PubChem (CID 122248430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).